3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide

C20H19N7O — CID 90192039

IUPAC3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H19N7O/c28-20(18-23-17(24-25-18)14-5-2-1-3-6-14)22-15-8-11-27(13-15)19-16-7-4-10-26(16)12-9-21-19/h1-7,9-10,12,15H,8,11,13H2,(H,22,28)(H,23,24,25)/t15-/m0/s1
InChIKeyFNRINGZOSISPBE-HNNXBMFYSA-N
MW373.42 g/mol
LogP2.13
Rot. Bonds4

About 3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide

3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 90192039) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID90192039
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H19N7O/c28-20(18-23-17(24-25-18)14-5-2-1-3-6-14)22-15-8-11-27(13-15)19-16-7-4-10-26(16)12-9-21-19/h1-7,9-10,12,15H,8,11,13H2,(H,22,28)(H,23,24,25)/t15-/m0/s1
InChIKeyFNRINGZOSISPBE-HNNXBMFYSA-N
XLogP2.13
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide (CID 90192039) is 3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide is O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is FNRINGZOSISPBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N7O/c28-20(18-23-17(24-25-18)14-5-2-1-3-6-14)22-15-8-11-27(13-15)19-16-7-4-10-26(16)12-9-21-19/h1-7,9-10,12,15H,8,11,13H2,(H,22,28)(H,23,24,25)/t15-/m0/s1.
What are the key properties of 3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide?
3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 90192039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).