[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone

C36H37ClN6O2 — CID 146732270

IUPAC[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCCCC1Cc1ccccn1
InChIInChI=1S/C36H37ClN6O2/c37-29-15-13-28(14-16-29)36(45)17-22-41(23-18-36)32-8-5-21-43-34(32)39-33(40-43)24-26-9-11-27(12-10-26)35(44)42-20-4-2-7-31(42)25-30-6-1-3-19-38-30/h1,3,5-6,8-16,19,21,31,45H,2,4,7,17-18,20,22-25H2
InChIKeyRIFGRRFMEZBVJX-UHFFFAOYSA-N
MW621.19 g/mol
LogP6.09
Rot. Bonds7

About [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone

[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 146732270) has the molecular formula C36H37ClN6O2 and a molecular weight of 621.19 g/mol. Its IUPAC name is [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID146732270
Molecular FormulaC36H37ClN6O2
Molecular Weight621.19 g/mol
Exact Mass620.27
IUPAC Name[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCCCC1Cc1ccccn1
InChIInChI=1S/C36H37ClN6O2/c37-29-15-13-28(14-16-29)36(45)17-22-41(23-18-36)32-8-5-21-43-34(32)39-33(40-43)24-26-9-11-27(12-10-26)35(44)42-20-4-2-7-31(42)25-30-6-1-3-19-38-30/h1,3,5-6,8-16,19,21,31,45H,2,4,7,17-18,20,22-25H2
InChIKeyRIFGRRFMEZBVJX-UHFFFAOYSA-N
XLogP6.09
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.19
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

US9873709, Example 1-253
CID 117940738
6-[6-(6-Chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600940
US11440913, Example 343
CID 155074280
US11440913, Example 373
CID 155074386
US9873709, Example 1-246
CID 117940882
US9873709, Example 1-301
CID 117941023
US9873709, Example 1-252
CID 117941121
US9873709, Example 1-270
CID 117941205
US9873709, Example 1-258
CID 117950349
US9873709, Example 1-287
CID 117950357
US9873709, Example 1-280
CID 117950364
US9873709, Example 1-165
CID 117950376

Frequently Asked Questions

What is the IUPAC name of [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (CID 146732270) is [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCCCC1Cc1ccccn1.
What is the InChIKey of [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is RIFGRRFMEZBVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37ClN6O2/c37-29-15-13-28(14-16-29)36(45)17-22-41(23-18-36)32-8-5-21-43-34(32)39-33(40-43)24-26-9-11-27(12-10-26)35(44)42-20-4-2-7-31(42)25-30-6-1-3-19-38-30/h1,3,5-6,8-16,19,21,31,45H,2,4,7,17-18,20,22-25H2.
What are the key properties of [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 621.19 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 146732270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).