N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide

C20H20N8O — CID 131990152

IUPACN-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide
SMILESCc1cn2cnnc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1
InChIInChI=1S/C20H20N8O/c1-14-9-28-13-22-25-19(28)18(23-14)26-8-7-15(10-26)24-20(29)17-11-27(12-21-17)16-5-3-2-4-6-16/h2-6,9,11-13,15H,7-8,10H2,1H3,(H,24,29)/t15-/m0/s1
InChIKeyXLMIIMBSYHYZLQ-HNNXBMFYSA-N
MW388.44 g/mol
LogP1.63
Rot. Bonds4

About N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide

N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide (PubChem CID 131990152) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide
PubChem CID131990152
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide
SMILESCc1cn2cnnc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1
InChIInChI=1S/C20H20N8O/c1-14-9-28-13-22-25-19(28)18(23-14)26-8-7-15(10-26)24-20(29)17-11-27(12-21-17)16-5-3-2-4-6-16/h2-6,9,11-13,15H,7-8,10H2,1H3,(H,24,29)/t15-/m0/s1
InChIKeyXLMIIMBSYHYZLQ-HNNXBMFYSA-N
XLogP1.63
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-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

1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide
CID 75202556
2,4-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 119104884
1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide
CID 119104878
3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide
CID 121022052
5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 110484336
2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide
CID 119104882
N-(3-carbamoyl-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidine-3-carboxylic acid;6-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]quinazoline-2-carboxamide
CID 162063820
7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 119104873
N-(2-adamantyl)-1-phenylimidazole-4-carboxamide
CID 58695734
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 75203084
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 75202956
1-buta-1,3-dien-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 123514712

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide (CID 131990152) is N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide is Cc1cn2cnnc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.
What is the InChIKey of N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide?
The InChIKey is XLMIIMBSYHYZLQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-14-9-28-13-22-25-19(28)18(23-14)26-8-7-15(10-26)24-20(29)17-11-27(12-21-17)16-5-3-2-4-6-16/h2-6,9,11-13,15H,7-8,10H2,1H3,(H,24,29)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide?
N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide is sourced from PubChem (CID 131990152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).