5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide

C19H22N6O — CID 75204437

IUPAC5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCC(C)c1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1
InChIInChI=1S/C19H22N6O/c1-13(2)14-10-21-17(22-11-14)19(26)23-15-5-8-25(12-15)18-16-4-3-7-24(16)9-6-20-18/h3-4,6-7,9-11,13,15H,5,8,12H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyFDFHFDYXJBVCAW-HNNXBMFYSA-N
MW350.43 g/mol
LogP2.26
Rot. Bonds4

About 5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide

5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide (PubChem CID 75204437) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
PubChem CID75204437
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCC(C)c1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1
InChIInChI=1S/C19H22N6O/c1-13(2)14-10-21-17(22-11-14)19(26)23-15-5-8-25(12-15)18-16-4-3-7-24(16)9-6-20-18/h3-4,6-7,9-11,13,15H,5,8,12H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyFDFHFDYXJBVCAW-HNNXBMFYSA-N
XLogP2.26
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 75204316
1-(5-butan-2-yl-2-pyridinyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide
CID 123346856
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
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
N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 75202692
N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-methylpyrimidine-2-carboxamide
CID 123465694
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 90187382
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide
CID 123305419
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 53185597
(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119895623

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide (CID 75204437) is 5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide is CC(C)c1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1.
What is the InChIKey of 5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The InChIKey is FDFHFDYXJBVCAW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13(2)14-10-21-17(22-11-14)19(26)23-15-5-8-25(12-15)18-16-4-3-7-24(16)9-6-20-18/h3-4,6-7,9-11,13,15H,5,8,12H2,1-2H3,(H,23,26)/t15-/m0/s1.
What are the key properties of 5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 75204437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).