(4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone

C17H19ClN6O — CID 83275848

IUPAC(4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCCn1cc(Cl)c(C(=O)N2CCC(c3nc4ccncc4n3C)C2)n1
InChIInChI=1S/C17H19ClN6O/c1-3-24-10-12(18)15(21-24)17(25)23-7-5-11(9-23)16-20-13-4-6-19-8-14(13)22(16)2/h4,6,8,10-11H,3,5,7,9H2,1-2H3
InChIKeyHTSIZHANMFTOIB-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.47
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone

(4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 83275848) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID83275848
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name(4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCCn1cc(Cl)c(C(=O)N2CCC(c3nc4ccncc4n3C)C2)n1
InChIInChI=1S/C17H19ClN6O/c1-3-24-10-12(18)15(21-24)17(25)23-7-5-11(9-23)16-20-13-4-6-19-8-14(13)22(16)2/h4,6,8,10-11H,3,5,7,9H2,1-2H3
InChIKeyHTSIZHANMFTOIB-UHFFFAOYSA-N
XLogP2.47
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 1012567
[(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71766152
[(3R)-1-[2-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71766153
5-chloro-3-phenyl-2-[(2S)-1-(7H-purin-6-yl)pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73051813
4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415037
1-[2-(1-azocanylcarbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]methanamine
CID 16189885
N-{[2-(azocan-1-ylcarbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl}-N-ethyl-2-(1H-pyrazol-1-yl)ethanamine
CID 16191978
[2-(5-Chloro-4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
CID 67117194
1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 75203829
1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
CID 75203956
[(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 136994910
US9815842, Example 70
CID 129072235

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 83275848) is (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is CCn1cc(Cl)c(C(=O)N2CCC(c3nc4ccncc4n3C)C2)n1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HTSIZHANMFTOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-3-24-10-12(18)15(21-24)17(25)23-7-5-11(9-23)16-20-13-4-6-19-8-14(13)22(16)2/h4,6,8,10-11H,3,5,7,9H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
(4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 358.83 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 83275848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).