[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone

C16H14ClN5O — CID 134795363

IUPAC[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2nnc(-c3cncc(Cl)c3)n2c1)N1CCCC1
InChIInChI=1S/C16H14ClN5O/c17-13-7-12(8-18-9-13)15-20-19-14-4-3-11(10-22(14)15)16(23)21-5-1-2-6-21/h3-4,7-10H,1-2,5-6H2
InChIKeyZRIFEGOHVVEHKK-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.68
Rot. Bonds2

About [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone

[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134795363) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID134795363
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2nnc(-c3cncc(Cl)c3)n2c1)N1CCCC1
InChIInChI=1S/C16H14ClN5O/c17-13-7-12(8-18-9-13)15-20-19-14-4-3-11(10-22(14)15)16(23)21-5-1-2-6-21/h3-4,7-10H,1-2,5-6H2
InChIKeyZRIFEGOHVVEHKK-UHFFFAOYSA-N
XLogP2.68
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone
CID 134794472
3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 113452949
[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 42845797
[3-[3,5-bis(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 134800626
3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 82878738
1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid
CID 84614360
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62388963
[3-(3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 56848051
[4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274440
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-thiomorpholin-4-ylmethanone
CID 97211527
ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate
CID 137291244
3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158435

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone (CID 134795363) is [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc2nnc(-c3cncc(Cl)c3)n2c1)N1CCCC1.
What is the InChIKey of [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZRIFEGOHVVEHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-13-7-12(8-18-9-13)15-20-19-14-4-3-11(10-22(14)15)16(23)21-5-1-2-6-21/h3-4,7-10H,1-2,5-6H2.
What are the key properties of [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 327.78 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134795363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).