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

C19H17FN8O — CID 75202691

IUPAC1-(3-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(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN8O/c20-13-2-1-3-15(10-13)28-12-23-16(25-28)19(29)24-14-4-7-27(11-14)18-17-21-5-8-26(17)9-6-22-18/h1-3,5-6,8-10,12,14H,4,7,11H2,(H,24,29)/t14-/m0/s1
InChIKeyPFNVDJADSSPUGZ-AWEZNQCLSA-N
MW392.40 g/mol
LogP1.46
Rot. Bonds4

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

1-(3-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 75202691) has the molecular formula C19H17FN8O and a molecular weight of 392.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID75202691
Molecular FormulaC19H17FN8O
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Name1-(3-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(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN8O/c20-13-2-1-3-15(10-13)28-12-23-16(25-28)19(29)24-14-4-7-27(11-14)18-17-21-5-8-26(17)9-6-22-18/h1-3,5-6,8-10,12,14H,4,7,11H2,(H,24,29)/t14-/m0/s1
InChIKeyPFNVDJADSSPUGZ-AWEZNQCLSA-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-(3-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 75202691) is 1-(3-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-(3-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(3-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(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is PFNVDJADSSPUGZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17FN8O/c20-13-2-1-3-15(10-13)28-12-23-16(25-28)19(29)24-14-4-7-27(11-14)18-17-21-5-8-26(17)9-6-22-18/h1-3,5-6,8-10,12,14H,4,7,11H2,(H,24,29)/t14-/m0/s1.
What are the key properties of 1-(3-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-(3-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-(3-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 75202691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).