893422-47-4
3-PHENYL-2-[4-[[4-[5-(2-PYRIDINYL)-1H-1,2,4-TRIAZOL-3-YL]-1-PIPERIDINYL]METHYL]PHENYL]-1,6-NAPHTHYRIDIN-5(6H)-ONE
Name
3-PHENYL-2-[4-[[4-[5-(2-PYRIDINYL)-1H-1,2,4-TRIAZOL-3-YL]-1-PIPERIDINYL]METHYL]PHENYL]-1,6-NAPHTHYRIDIN-5(6H)-ONE
Formula
C33 H29 N7 O
MolWeight
539.64
1Identification
【Name】
3-PHENYL-2-[4-[[4-[5-(2-PYRIDINYL)-1H-1,2,4-TRIAZOL-3-YL]-1-PIPERIDINYL]METHYL]PHENYL]-1,6-NAPHTHYRIDIN-5(6H)-ONE
【CAS】
【MDL】
MFCD13184803
【English Synonyms】
【Formula】
C33 H29 N7 O
【MolWeight】
539.64
【Inchi】
InChI=1S/C33H29N7O/c41-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)13-17-35-33)24-11-9-22(10-12-24)21-40-18-14-25(15-19-40)31-37-32(39-38-31)29-8-4-5-16-34-29/h1-13,16-17,20,25H,14-15,18-19,21H2,(H,35,41)(H,37,38,39)
【InChIKey】
InChIKey=BTUWHHFNOHVCMQ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2cc3c(cc[nH]c3=O)nc2c4ccc(cc4)CN5CCC(CC5)c6nc([nH]n6)c7ccccn7
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-PHENYL-2-[4-[[4-[5-(2-PYRIDINYL)-1H-1,2,4-TRIAZOL-3-YL]-1-PIPERIDINYL]METHYL]PHENYL]-1,6-NAPHTHYRIDIN-5(6H)-ONE.cml
Quick Release
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