[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)pyrrolidin-1-yl]methanone

C35H35ClN6O2 — CID 147688478

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)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCCC1Cc1ccccn1
InChIInChI=1S/C35H35ClN6O2/c36-28-14-12-27(13-15-28)35(44)16-21-40(22-17-35)31-7-4-20-42-33(31)38-32(39-42)23-25-8-10-26(11-9-25)34(43)41-19-3-6-30(41)24-29-5-1-2-18-37-29/h1-2,4-5,7-15,18,20,30,44H,3,6,16-17,19,21-24H2
InChIKeyGQMNTFGVHBGCFO-UHFFFAOYSA-N
MW607.16 g/mol
LogP5.70
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)pyrrolidin-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)pyrrolidin-1-yl]methanone (PubChem CID 147688478) has the molecular formula C35H35ClN6O2 and a molecular weight of 607.16 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)pyrrolidin-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)pyrrolidin-1-yl]methanone
PubChem CID147688478
Molecular FormulaC35H35ClN6O2
Molecular Weight607.16 g/mol
Exact Mass606.25
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)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCCC1Cc1ccccn1
InChIInChI=1S/C35H35ClN6O2/c36-28-14-12-27(13-15-28)35(44)16-21-40(22-17-35)31-7-4-20-42-33(31)38-32(39-42)23-25-8-10-26(11-9-25)34(43)41-19-3-6-30(41)24-29-5-1-2-18-37-29/h1-2,4-5,7-15,18,20,30,44H,3,6,16-17,19,21-24H2
InChIKeyGQMNTFGVHBGCFO-UHFFFAOYSA-N
XLogP5.70
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.16
LogP ≤ 55.70
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)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

US9873709, Example 1-253
CID 117940738
US11440913, Example 343
CID 155074280
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
US9873709, Example 1-279
CID 117950378
US9873709, Example 1-164
CID 117950396

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)pyrrolidin-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)pyrrolidin-1-yl]methanone (CID 147688478) 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)pyrrolidin-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)pyrrolidin-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)pyrrolidin-1-yl]methanone is O=C(c1ccc(Cc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCCC1Cc1ccccn1.
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)pyrrolidin-1-yl]methanone?
The InChIKey is GQMNTFGVHBGCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35ClN6O2/c36-28-14-12-27(13-15-28)35(44)16-21-40(22-17-35)31-7-4-20-42-33(31)38-32(39-42)23-25-8-10-26(11-9-25)34(43)41-19-3-6-30(41)24-29-5-1-2-18-37-29/h1-2,4-5,7-15,18,20,30,44H,3,6,16-17,19,21-24H2.
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)pyrrolidin-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)pyrrolidin-1-yl]methanone has a molecular weight of 607.16 g/mol, XLogP of 5.70, 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)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 147688478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).