8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C24H23ClN4 — CID 66786074

IUPAC8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1c(-c2ccccc2)ccn2c(CN3CCC(c4ccccc4)CC3)nnc12
InChIInChI=1S/C24H23ClN4/c25-23-21(20-9-5-2-6-10-20)13-16-29-22(26-27-24(23)29)17-28-14-11-19(12-15-28)18-7-3-1-4-8-18/h1-10,13,16,19H,11-12,14-15,17H2
InChIKeyMAVZNSCVBWWTNP-UHFFFAOYSA-N
MW402.93 g/mol
LogP5.43
Rot. Bonds4

About 8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66786074) has the molecular formula C24H23ClN4 and a molecular weight of 402.93 g/mol. Its IUPAC name is 8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66786074
Molecular FormulaC24H23ClN4
Molecular Weight402.93 g/mol
Exact Mass402.16
IUPAC Name8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1c(-c2ccccc2)ccn2c(CN3CCC(c4ccccc4)CC3)nnc12
InChIInChI=1S/C24H23ClN4/c25-23-21(20-9-5-2-6-10-20)13-16-29-22(26-27-24(23)29)17-28-14-11-19(12-15-28)18-7-3-1-4-8-18/h1-10,13,16,19H,11-12,14-15,17H2
InChIKeyMAVZNSCVBWWTNP-UHFFFAOYSA-N
XLogP5.43
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459491
3-butyl-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459579
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
2-phenyl-6-[(4-phenylpiperidin-1-yl)methyl]pyridine
CID 19863623
3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 70451134
2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyridine
CID 19863538
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
[4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 59472965
2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]acetamide
CID 70002970
8-chloro-3-(cyclopropylmethyl)-7-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 57459641
[4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 74234693
8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459512

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 66786074) is 8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is Clc1c(-c2ccccc2)ccn2c(CN3CCC(c4ccccc4)CC3)nnc12.
What is the InChIKey of 8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MAVZNSCVBWWTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4/c25-23-21(20-9-5-2-6-10-20)13-16-29-22(26-27-24(23)29)17-28-14-11-19(12-15-28)18-7-3-1-4-8-18/h1-10,13,16,19H,11-12,14-15,17H2.
What are the key properties of 8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 402.93 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66786074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).