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

C19H17FN8O — CID 90187473

IUPAC1-(2-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1ncn(-c2ccccc2F)n1
InChIInChI=1S/C19H17FN8O/c20-14-3-1-2-4-15(14)28-12-23-16(25-28)19(29)24-13-5-8-27(11-13)18-17-21-6-9-26(17)10-7-22-18/h1-4,6-7,9-10,12-13H,5,8,11H2,(H,24,29)/t13-/m0/s1
InChIKeyGHPBJHSRUCJCJW-ZDUSSCGKSA-N
MW392.40 g/mol
LogP1.46
Rot. Bonds4

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

1-(2-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 90187473) has the molecular formula C19H17FN8O and a molecular weight of 392.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID90187473
Molecular FormulaC19H17FN8O
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Name1-(2-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1ncn(-c2ccccc2F)n1
InChIInChI=1S/C19H17FN8O/c20-14-3-1-2-4-15(14)28-12-23-16(25-28)19(29)24-13-5-8-27(11-13)18-17-21-6-9-26(17)10-7-22-18/h1-4,6-7,9-10,12-13H,5,8,11H2,(H,24,29)/t13-/m0/s1
InChIKeyGHPBJHSRUCJCJW-ZDUSSCGKSA-N
XLogP1.46
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 90187473) is 1-(2-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide is O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1ncn(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is GHPBJHSRUCJCJW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17FN8O/c20-14-3-1-2-4-15(14)28-12-23-16(25-28)19(29)24-13-5-8-27(11-13)18-17-21-6-9-26(17)10-7-22-18/h1-4,6-7,9-10,12-13H,5,8,11H2,(H,24,29)/t13-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-(2-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 392.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 90187473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).