1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide

C20H19FN8O — CID 90187215

IUPAC1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N[C@H]2CCN(c3nccn4ccnc34)C2)nn1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN8O/c1-13-24-17(26-29(13)16-4-2-14(21)3-5-16)20(30)25-15-6-9-28(12-15)19-18-22-7-10-27(18)11-8-23-19/h2-5,7-8,10-11,15H,6,9,12H2,1H3,(H,25,30)/t15-/m0/s1
InChIKeySXZCOTDMHDKWAD-HNNXBMFYSA-N
MW406.43 g/mol
LogP1.77
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 90187215) has the molecular formula C20H19FN8O and a molecular weight of 406.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID90187215
Molecular FormulaC20H19FN8O
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC Name1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N[C@H]2CCN(c3nccn4ccnc34)C2)nn1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN8O/c1-13-24-17(26-29(13)16-4-2-14(21)3-5-16)20(30)25-15-6-9-28(12-15)19-18-22-7-10-27(18)11-8-23-19/h2-5,7-8,10-11,15H,6,9,12H2,1H3,(H,25,30)/t15-/m0/s1
InChIKeySXZCOTDMHDKWAD-HNNXBMFYSA-N
XLogP1.77
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 129270200
CID 129270200
CID 137639139
CID 137639139
CID 137656872
CID 137656872
CID 58386275
CID 58386275
CID 58386306
CID 58386306
CID 74762648
CID 74762648
CID 75202555
CID 75202555
CID 75202689
CID 75202689
CID 75202691
CID 75202691
CID 75204197
CID 75204197
CID 86720540
CID 86720540
CID 90187473
CID 90187473

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide (CID 90187215) is 1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N[C@H]2CCN(c3nccn4ccnc34)C2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is SXZCOTDMHDKWAD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19FN8O/c1-13-24-17(26-29(13)16-4-2-14(21)3-5-16)20(30)25-15-6-9-28(12-15)19-18-22-7-10-27(18)11-8-23-19/h2-5,7-8,10-11,15H,6,9,12H2,1H3,(H,25,30)/t15-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 90187215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).