[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone

C22H24N6O — CID 66745483

IUPAC[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone
SMILESNc1ncc(C2=CCN(C(=O)C3CCCC3)CC2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H24N6O/c23-20-19(21-26-16-7-3-4-8-17(16)27-21)25-18(13-24-20)14-9-11-28(12-10-14)22(29)15-5-1-2-6-15/h3-4,7-9,13,15H,1-2,5-6,10-12H2,(H2,23,24)(H,26,27)
InChIKeyMNPWWXQPSGQROR-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.41
Rot. Bonds3

About [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone

[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone (PubChem CID 66745483) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone
PubChem CID66745483
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone
SMILESNc1ncc(C2=CCN(C(=O)C3CCCC3)CC2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H24N6O/c23-20-19(21-26-16-7-3-4-8-17(16)27-21)25-18(13-24-20)14-9-11-28(12-10-14)22(29)15-5-1-2-6-15/h3-4,7-9,13,15H,1-2,5-6,10-12H2,(H2,23,24)(H,26,27)
InChIKeyMNPWWXQPSGQROR-UHFFFAOYSA-N
XLogP3.41
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[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
tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 66744919
[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]-pyridin-3-ylmethanone;molecular hydrogen
CID 159470106
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
3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine
CID 141267876
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen
CID 161182532
4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-4-oxobutanoic acid
CID 91006690

Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone (CID 66745483) is [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone is Nc1ncc(C2=CCN(C(=O)C3CCCC3)CC2)nc1-c1nc2ccccc2[nH]1.
What is the InChIKey of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone?
The InChIKey is MNPWWXQPSGQROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c23-20-19(21-26-16-7-3-4-8-17(16)27-21)25-18(13-24-20)14-9-11-28(12-10-14)22(29)15-5-1-2-6-15/h3-4,7-9,13,15H,1-2,5-6,10-12H2,(H2,23,24)(H,26,27).
What are the key properties of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone?
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone has a molecular weight of 388.48 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 66745483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).