1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide

C21H21N7O — CID 75203470

IUPAC1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)n1
InChIInChI=1S/C21H21N7O/c1-15-5-2-3-6-17(15)28-14-23-19(25-28)21(29)24-16-8-11-27(13-16)20-18-7-4-10-26(18)12-9-22-20/h2-7,9-10,12,14,16H,8,11,13H2,1H3,(H,24,29)/t16-/m0/s1
InChIKeyCWSBNFQIWWIIPG-INIZCTEOSA-N
MW387.45 g/mol
LogP2.23
Rot. Bonds4

About 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide

1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 75203470) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID75203470
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)n1
InChIInChI=1S/C21H21N7O/c1-15-5-2-3-6-17(15)28-14-23-19(25-28)21(29)24-16-8-11-27(13-16)20-18-7-4-10-26(18)12-9-22-20/h2-7,9-10,12,14,16H,8,11,13H2,1H3,(H,24,29)/t16-/m0/s1
InChIKeyCWSBNFQIWWIIPG-INIZCTEOSA-N
XLogP2.23
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 75203470) is 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide is Cc1ccccc1-n1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)n1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is CWSBNFQIWWIIPG-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21N7O/c1-15-5-2-3-6-17(15)28-14-23-19(25-28)21(29)24-16-8-11-27(13-16)20-18-7-4-10-26(18)12-9-22-20/h2-7,9-10,12,14,16H,8,11,13H2,1H3,(H,24,29)/t16-/m0/s1.
What are the key properties of 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 75203470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).