1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide

C20H19N7O — CID 86720548

IUPAC1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C20H19N7O/c28-20(18-22-14-27(24-18)16-5-2-1-3-6-16)23-15-8-11-26(13-15)19-17-7-4-10-25(17)12-9-21-19/h1-7,9-10,12,14-15H,8,11,13H2,(H,23,28)/t15-/m0/s1
InChIKeyARFHLFONKZEFHM-HNNXBMFYSA-N
MW373.42 g/mol
LogP1.92
Rot. Bonds4

About 1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide

1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 86720548) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID86720548
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C20H19N7O/c28-20(18-22-14-27(24-18)16-5-2-1-3-6-16)23-15-8-11-26(13-15)19-17-7-4-10-25(17)12-9-21-19/h1-7,9-10,12,14-15H,8,11,13H2,(H,23,28)/t15-/m0/s1
InChIKeyARFHLFONKZEFHM-HNNXBMFYSA-N
XLogP1.92
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 86720548) is 1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide is O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncn(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is ARFHLFONKZEFHM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N7O/c28-20(18-22-14-27(24-18)16-5-2-1-3-6-16)23-15-8-11-26(13-15)19-17-7-4-10-25(17)12-9-21-19/h1-7,9-10,12,14-15H,8,11,13H2,(H,23,28)/t15-/m0/s1.
What are the key properties of 1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 86720548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).