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

C21H24N10O — CID 146380322

IUPAC3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESCN1CCC[C@H]1CNC(=O)c1nc(-c2ccc3ncn(C)c3c2)c(-n2nccn2)nc1N
InChIInChI=1S/C21H24N10O/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/h5-8,10,12,14H,3-4,9,11H2,1-2H3,(H2,22,28)(H,23,32)/t14-/m0/s1
InChIKeyJKXFHDCTZCCMDP-AWEZNQCLSA-N
MW432.49 g/mol
LogP1.02
Rot. Bonds5

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)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146380322) has the molecular formula C21H24N10O and a molecular weight of 432.49 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.

Molecular Properties

Compound Name3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
PubChem CID146380322
Molecular FormulaC21H24N10O
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC Name3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESCN1CCC[C@H]1CNC(=O)c1nc(-c2ccc3ncn(C)c3c2)c(-n2nccn2)nc1N
InChIInChI=1S/C21H24N10O/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/h5-8,10,12,14H,3-4,9,11H2,1-2H3,(H2,22,28)(H,23,32)/t14-/m0/s1
InChIKeyJKXFHDCTZCCMDP-AWEZNQCLSA-N
XLogP1.02
TPSA132.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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?
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 (CID 146380322) is 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide.
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?
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 is CN1CCC[C@H]1CNC(=O)c1nc(-c2ccc3ncn(C)c3c2)c(-n2nccn2)nc1N.
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?
The InChIKey is JKXFHDCTZCCMDP-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N10O/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/h5-8,10,12,14H,3-4,9,11H2,1-2H3,(H2,22,28)(H,23,32)/t14-/m0/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)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 10 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 is sourced from PubChem (CID 146380322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).