3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine

C42H50N20O3 — CID 159608720

About 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine

3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine (PubChem CID 159608720) has the molecular formula C42H50N20O3 and a molecular weight of 883.00 g/mol. Its IUPAC name is 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

• Compound Name: 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine
• PubChem CID: 159608720
• Molecular Formula: C42H50N20O3
• Molecular Weight: 883.00 g/mol
• Exact Mass: 882.44
• IUPAC Name: 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine
• SMILES: CN1CCC[C@H]1CN.CN1CCC[C@H]1CNC(=O)c1nc(-c2ccc3ncn(C)c3c2)c(-n2nccn2)nc1N.Cn1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-n3nccn3)cc21
• InChI: InChI=1S/C21H24N10O.C15H12N8O2.C6H14N2/c1-29-9-3-4-14(29)11-23-21(32)18-19(22)28-20(31-25-7-8-26-31)17(27-18)13-5-6-15-16(10-13)30(2)12-24-15;1-22-7-17-9-3-2-8(6-10(9)22)11-14(23-18-4-5-19-23)21-13(16)12(20-11)15(24)25;1-8-4-2-3-6(8)5-7/h5-8,10,12,14H,3-4,9,11H2,1-2H3,(H2,22,28)(H,23,32);2-7H,1H3,(H2,16,21)(H,24,25);6H,2-5,7H2,1H3/t14-;;6-/m0.0/s1
• InChIKey: MMKDITYIYBLTSM-UDTWHGEJSA-N
• XLogP: 1.95
• TPSA: 299.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.00
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine?

The IUPAC name of 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine (CID 159608720) is 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine.

What is the SMILES notation for 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine?

The canonical SMILES for 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine is CN1CCC[C@H]1CN.CN1CCC[C@H]1CNC(=O)c1nc(-c2ccc3ncn(C)c3c2)c(-n2nccn2)nc1N.Cn1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-n3nccn3)cc21.

What is the InChIKey of 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine?

The InChIKey is MMKDITYIYBLTSM-UDTWHGEJSA-N. The full InChI is InChI=1S/C21H24N10O.C15H12N8O2.C6H14N2/c1-29-9-3-4-14(29)11-23-21(32)18-19(22)28-20(31-25-7-8-26-31)17(27-18)13-5-6-15-16(10-13)30(2)12-24-15;1-22-7-17-9-3-2-8(6-10(9)22)11-14(23-18-4-5-19-23)21-13(16)12(20-11)15(24)25;1-8-4-2-3-6(8)5-7/h5-8,10,12,14H,3-4,9,11H2,1-2H3,(H2,22,28)(H,23,32);2-7H,1H3,(H2,16,21)(H,24,25);6H,2-5,7H2,1H3/t14-;;6-/m0.0/s1.

What are the key properties of 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine?

3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine has a molecular weight of 883.00 g/mol, XLogP of 1.95, 9 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;[(2S)-1-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 159608720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).