[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone

C34H34ClN7O2 — CID 121434879

IUPAC[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Nc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCC(Cc2ccccn2)C1
InChIInChI=1S/C34H34ClN7O2/c35-27-10-8-26(9-11-27)34(44)15-20-40(21-16-34)30-5-3-18-42-31(30)38-33(39-42)37-28-12-6-25(7-13-28)32(43)41-19-14-24(23-41)22-29-4-1-2-17-36-29/h1-13,17-18,24,44H,14-16,19-23H2,(H,37,39)
InChIKeyIYXPLRSOSGQAAL-UHFFFAOYSA-N
MW608.15 g/mol
LogP5.71
Rot. Bonds7

About [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-[3-(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]amino]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 121434879) has the molecular formula C34H34ClN7O2 and a molecular weight of 608.15 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]amino]phenyl]-[3-(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]amino]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID121434879
Molecular FormulaC34H34ClN7O2
Molecular Weight608.15 g/mol
Exact Mass607.25
IUPAC Name[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Nc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCC(Cc2ccccn2)C1
InChIInChI=1S/C34H34ClN7O2/c35-27-10-8-26(9-11-27)34(44)15-20-40(21-16-34)30-5-3-18-42-31(30)38-33(39-42)37-28-12-6-25(7-13-28)32(43)41-19-14-24(23-41)22-29-4-1-2-17-36-29/h1-13,17-18,24,44H,14-16,19-23H2,(H,37,39)
InChIKeyIYXPLRSOSGQAAL-UHFFFAOYSA-N
XLogP5.71
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.15
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

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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]amino]phenyl]-[3-(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]amino]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone (CID 121434879) is [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-[3-(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]amino]phenyl]-[3-(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]amino]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Nc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCC(Cc2ccccn2)C1.
What is the InChIKey of [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IYXPLRSOSGQAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34ClN7O2/c35-27-10-8-26(9-11-27)34(44)15-20-40(21-16-34)30-5-3-18-42-31(30)38-33(39-42)37-28-12-6-25(7-13-28)32(43)41-19-14-24(23-41)22-29-4-1-2-17-36-29/h1-13,17-18,24,44H,14-16,19-23H2,(H,37,39).
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]amino]phenyl]-[3-(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]amino]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 608.15 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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]amino]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121434879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).