1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide

C24H27N7O — CID 123346856

IUPAC1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide
SMILESCCC(C)c1ccc(-n2ccc(C(=O)NC3CCN(c4nccn5cccc45)C3)n2)nc1
InChIInChI=1S/C24H27N7O/c1-3-17(2)18-6-7-22(26-15-18)31-13-9-20(28-31)24(32)27-19-8-12-30(16-19)23-21-5-4-11-29(21)14-10-25-23/h4-7,9-11,13-15,17,19H,3,8,12,16H2,1-2H3,(H,27,32)
InChIKeyVELSWLJVLPKYCD-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.44
Rot. Bonds6

About 1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide

1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide (PubChem CID 123346856) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide
PubChem CID123346856
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide
SMILESCCC(C)c1ccc(-n2ccc(C(=O)NC3CCN(c4nccn5cccc45)C3)n2)nc1
InChIInChI=1S/C24H27N7O/c1-3-17(2)18-6-7-22(26-15-18)31-13-9-20(28-31)24(32)27-19-8-12-30(16-19)23-21-5-4-11-29(21)14-10-25-23/h4-7,9-11,13-15,17,19H,3,8,12,16H2,1-2H3,(H,27,32)
InChIKeyVELSWLJVLPKYCD-UHFFFAOYSA-N
XLogP3.44
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 75204437
5-methyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 75204316
2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 90192059
2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 90192085
1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
CID 160839227
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 158487406
N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993788
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 75203084
1-(4-chlorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chlorophenyl)pyrazole-3-carboxylic acid;(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine
CID 160870802
N-[(3S)-1-(3-ethylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;1-(4-fluorophenyl)-N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyridazine-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 159927467
(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119895623
N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide
CID 162063820

Frequently Asked Questions

What is the IUPAC name of 1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide (CID 123346856) is 1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide is CCC(C)c1ccc(-n2ccc(C(=O)NC3CCN(c4nccn5cccc45)C3)n2)nc1.
What is the InChIKey of 1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide?
The InChIKey is VELSWLJVLPKYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-3-17(2)18-6-7-22(26-15-18)31-13-9-20(28-31)24(32)27-19-8-12-30(16-19)23-21-5-4-11-29(21)14-10-25-23/h4-7,9-11,13-15,17,19H,3,8,12,16H2,1-2H3,(H,27,32).
What are the key properties of 1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide?
1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 123346856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).