1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide

C23H24FN7O — CID 75203594

IUPAC1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1cn2cccc2c(N2CC[C@H](NC(=O)c3ncn(-c4ccc(F)cc4)n3)C2)n1
InChIInChI=1S/C23H24FN7O/c1-15(2)19-13-29-10-3-4-20(29)22(27-19)30-11-9-17(12-30)26-23(32)21-25-14-31(28-21)18-7-5-16(24)6-8-18/h3-8,10,13-15,17H,9,11-12H2,1-2H3,(H,26,32)/t17-/m0/s1
InChIKeyCNAJNEMVBLJYFF-KRWDZBQOSA-N
MW433.49 g/mol
LogP3.19
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 75203594) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID75203594
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1cn2cccc2c(N2CC[C@H](NC(=O)c3ncn(-c4ccc(F)cc4)n3)C2)n1
InChIInChI=1S/C23H24FN7O/c1-15(2)19-13-29-10-3-4-20(29)22(27-19)30-11-9-17(12-30)26-23(32)21-25-14-31(28-21)18-7-5-16(24)6-8-18/h3-8,10,13-15,17H,9,11-12H2,1-2H3,(H,26,32)/t17-/m0/s1
InChIKeyCNAJNEMVBLJYFF-KRWDZBQOSA-N
XLogP3.19
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 75203594) is 1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide is CC(C)c1cn2cccc2c(N2CC[C@H](NC(=O)c3ncn(-c4ccc(F)cc4)n3)C2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is CNAJNEMVBLJYFF-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-15(2)19-13-29-10-3-4-20(29)22(27-19)30-11-9-17(12-30)26-23(32)21-25-14-31(28-21)18-7-5-16(24)6-8-18/h3-8,10,13-15,17H,9,11-12H2,1-2H3,(H,26,32)/t17-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3S)-1-(3-propan-2-ylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 75203594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).