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

C19H29N7O — CID 160531501

IUPAC3-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
SMILESNCCC(=O)N1CC=C(c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H21N7O.4H2/c20-8-5-16(27)26-9-6-12(7-10-26)15-11-22-18(21)17(23-15)19-24-13-3-1-2-4-14(13)25-19;;;;/h1-4,6,11H,5,7-10,20H2,(H2,21,22)(H,24,25);4*1H
InChIKeyQVPGJBQGLYBOHY-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.55
Rot. Bonds4

About 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

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 (PubChem CID 160531501) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID160531501
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name3-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
SMILESNCCC(=O)N1CC=C(c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H21N7O.4H2/c20-8-5-16(27)26-9-6-12(7-10-26)15-11-22-18(21)17(23-15)19-24-13-3-1-2-4-14(13)25-19;;;;/h1-4,6,11H,5,7-10,20H2,(H2,21,22)(H,24,25);4*1H
InChIKeyQVPGJBQGLYBOHY-UHFFFAOYSA-N
XLogP2.55
TPSA126.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen
CID 162039764
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-2-ylmethanone;molecular hydrogen
CID 161401655
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclohexylmethanone;molecular hydrogen
CID 159496567
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone
CID 66745483
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone;molecular hydrogen
CID 159470106
tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 66744919
3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine
CID 66745574
3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine
CID 66745302
1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 46199874
4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-4-oxobutanoic acid
CID 91006690
3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine
CID 141267876
5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen
CID 158309127

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NCCC(=O)N1CC=C(c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)CC1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is QVPGJBQGLYBOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O.4H2/c20-8-5-16(27)26-9-6-12(7-10-26)15-11-22-18(21)17(23-15)19-24-13-3-1-2-4-14(13)25-19;;;;/h1-4,6,11H,5,7-10,20H2,(H2,21,22)(H,24,25);4*1H.
What are the key properties of 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?
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 has a molecular weight of 371.49 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160531501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).