1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide

C20H18ClN7O — CID 90192111

IUPAC1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClN7O/c21-14-1-3-16(4-2-14)28-10-6-17(25-28)20(29)24-15-5-9-27(13-15)19-18-22-7-11-26(18)12-8-23-19/h1-4,6-8,10-12,15H,5,9,13H2,(H,24,29)/t15-/m0/s1
InChIKeyYFQRJNSUYRNBKU-HNNXBMFYSA-N
MW407.87 g/mol
LogP2.58
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide

1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 90192111) has the molecular formula C20H18ClN7O and a molecular weight of 407.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID90192111
Molecular FormulaC20H18ClN7O
Molecular Weight407.87 g/mol
Exact Mass407.13
IUPAC Name1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClN7O/c21-14-1-3-16(4-2-14)28-10-6-17(25-28)20(29)24-15-5-9-27(13-15)19-18-22-7-11-26(18)12-8-23-19/h1-4,6-8,10-12,15H,5,9,13H2,(H,24,29)/t15-/m0/s1
InChIKeyYFQRJNSUYRNBKU-HNNXBMFYSA-N
XLogP2.58
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
2-(4-chlorophenyl)-5-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46188600
2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46188603
5-chloro-2-[(2S,4S)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 72949203
2-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-chloro-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 122196180
1-(4-chlorophenyl)-N-cyclohexyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768459
4-N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87381292
4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 1012567
N-[3-(1H-imidazol-1-yl)propyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 650076
2-(4-chlorophenyl)-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46188602
N-[1-[5-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide
CID 46188776

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide (CID 90192111) is 1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide is O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1ccn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is YFQRJNSUYRNBKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H18ClN7O/c21-14-1-3-16(4-2-14)28-10-6-17(25-28)20(29)24-15-5-9-27(13-15)19-18-22-7-11-26(18)12-8-23-19/h1-4,6-8,10-12,15H,5,9,13H2,(H,24,29)/t15-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 407.87 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 90192111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).