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

C21H24N10O — CID 146380465

IUPAC3-amino-6-(3-methylbenzimidazol-5-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESCN1CCCC1CNC(=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)
InChIKeyJKXFHDCTZCCMDP-UHFFFAOYSA-N
MW432.49 g/mol
LogP1.02
Rot. Bonds5

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

3-amino-6-(3-methylbenzimidazol-5-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146380465) 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-[(1-methylpyrrolidin-2-yl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-methylbenzimidazol-5-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
PubChem CID146380465
Molecular FormulaC21H24N10O
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC Name3-amino-6-(3-methylbenzimidazol-5-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESCN1CCCC1CNC(=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)
InChIKeyJKXFHDCTZCCMDP-UHFFFAOYSA-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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Related Compounds

PF-4181366
CID 135564899
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
Syk-IN-1
CID 72202597
2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methyl-1H-1,3-benzodiazole-5-carboxamide
CID 138466007
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(1H-imidazol-1-ylmethyl)-1H-pyrazole-5-carboxamide
CID 23646202
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(1H-1,2,3-triazol-1-ylmethyl)-1H-pyrazole-5-carboxamide
CID 23646204
7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
CID 155925933
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925937
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
1,3-Dimethyl-7-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-4,6-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-5-one
CID 10068655
4-amino-N-[3-[[(4-methylphenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 44518503
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 51000508

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide (CID 146380465) is 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[(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-[(1-methylpyrrolidin-2-yl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide is CN1CCCC1CNC(=O)c1nc(-c2ccc3ncn(C)c3c2)c(-n2nccn2)nc1N.
What is the InChIKey of 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is JKXFHDCTZCCMDP-UHFFFAOYSA-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).
What are the key properties of 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
3-amino-6-(3-methylbenzimidazol-5-yl)-N-[(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-[(1-methylpyrrolidin-2-yl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146380465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).