N-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C22H25N5O2 — CID 44622594

IUPACN-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(N3CCC(O)(Cc4ccccc4)CC3)n2n1)C1CC1
InChIInChI=1S/C22H25N5O2/c28-20(17-9-10-17)24-21-23-18-7-4-8-19(27(18)25-21)26-13-11-22(29,12-14-26)15-16-5-2-1-3-6-16/h1-8,17,29H,9-15H2,(H,24,25,28)
InChIKeyQZHRMLYHEAHWFD-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.65
Rot. Bonds5

About N-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44622594) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44622594
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(N3CCC(O)(Cc4ccccc4)CC3)n2n1)C1CC1
InChIInChI=1S/C22H25N5O2/c28-20(17-9-10-17)24-21-23-18-7-4-8-19(27(18)25-21)26-13-11-22(29,12-14-26)15-16-5-2-1-3-6-16/h1-8,17,29H,9-15H2,(H,24,25,28)
InChIKeyQZHRMLYHEAHWFD-UHFFFAOYSA-N
XLogP2.65
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]benzoic acid
CID 70929702
N-[5-[4-(3,4-dichlorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;ethane
CID 143929704
N-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70929698
N-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70929717
N-[5-[4-(ethoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44622130
N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70929386
N-[5-(3-oxopiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70929601
N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 24798484
N-[5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 91090467
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 70929649
N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 143929700
N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
CID 172863039

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44622594) is N-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(N3CCC(O)(Cc4ccccc4)CC3)n2n1)C1CC1.
What is the InChIKey of N-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is QZHRMLYHEAHWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-20(17-9-10-17)24-21-23-18-7-4-8-19(27(18)25-21)26-13-11-22(29,12-14-26)15-16-5-2-1-3-6-16/h1-8,17,29H,9-15H2,(H,24,25,28).
What are the key properties of N-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44622594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).