N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen

C21H33N7O — CID 159357802

IUPACN-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen
SMILESCCC(CC)C(=O)N[C@H]1CCN(c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)C1.[H][H].[H][H].[H][H]
InChIInChI=1S/C21H27N7O.3H2/c1-3-13(4-2)21(29)24-14-9-10-28(12-14)17-11-23-19(22)18(27-17)20-25-15-7-5-6-8-16(15)26-20;;;/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H2,22,23)(H,24,29)(H,25,26);3*1H/t14-;;;/m0.../s1
InChIKeyLIDLNTQGJPQECR-ZSOSHZMMSA-N
MW399.54 g/mol
LogP3.47
Rot. Bonds6

About N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen

N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen (PubChem CID 159357802) has the molecular formula C21H33N7O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen
PubChem CID159357802
Molecular FormulaC21H33N7O
Molecular Weight399.54 g/mol
Exact Mass399.27
IUPAC NameN-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen
SMILESCCC(CC)C(=O)N[C@H]1CCN(c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)C1.[H][H].[H][H].[H][H]
InChIInChI=1S/C21H27N7O.3H2/c1-3-13(4-2)21(29)24-14-9-10-28(12-14)17-11-23-19(22)18(27-17)20-25-15-7-5-6-8-16(15)26-20;;;/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H2,22,23)(H,24,29)(H,25,26);3*1H/t14-;;;/m0.../s1
InChIKeyLIDLNTQGJPQECR-ZSOSHZMMSA-N
XLogP3.47
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen 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

N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide
CID 66744263
N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide
CID 66744273
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen
CID 161182532
1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide
CID 66744847
N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide
CID 167742842
4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 158278038
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclohexylmethanone;molecular hydrogen
CID 159496567
3-amino-1-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;molecular hydrogen
CID 160531501
cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol
CID 66725297
tert-butyl N-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]carbamate
CID 71632096
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone
CID 66745483
5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine
CID 66744360

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen?
The IUPAC name of N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen (CID 159357802) is N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen.
What is the SMILES notation for N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen?
The canonical SMILES for N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen is CCC(CC)C(=O)N[C@H]1CCN(c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)C1.[H][H].[H][H].[H][H].
What is the InChIKey of N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen?
The InChIKey is LIDLNTQGJPQECR-ZSOSHZMMSA-N. The full InChI is InChI=1S/C21H27N7O.3H2/c1-3-13(4-2)21(29)24-14-9-10-28(12-14)17-11-23-19(22)18(27-17)20-25-15-7-5-6-8-16(15)26-20;;;/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H2,22,23)(H,24,29)(H,25,26);3*1H/t14-;;;/m0.../s1.
What are the key properties of N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen?
N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen has a molecular weight of 399.54 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen is sourced from PubChem (CID 159357802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).