(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone

C17H22N4O — CID 119041736

IUPAC(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)N1CCc2c(nc(C(C)C)n2C)C1
InChIInChI=1S/C17H22N4O/c1-11(2)16-19-14-10-21(9-7-15(14)20(16)4)17(22)13-6-5-8-18-12(13)3/h5-6,8,11H,7,9-10H2,1-4H3
InChIKeyMCOBYXCUCPXPMM-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.45
Rot. Bonds2

About (1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone

(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone (PubChem CID 119041736) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone
PubChem CID119041736
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)N1CCc2c(nc(C(C)C)n2C)C1
InChIInChI=1S/C17H22N4O/c1-11(2)16-19-14-10-21(9-7-15(14)20(16)4)17(22)13-6-5-8-18-12(13)3/h5-6,8,11H,7,9-10H2,1-4H3
InChIKeyMCOBYXCUCPXPMM-UHFFFAOYSA-N
XLogP2.45
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethyl-3-pyridinyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 119041735
[2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133320152
(2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 119042361
(3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 119043431
(4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 99122898
3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 126787824
1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 126778339
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 112630543
N-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 126775756
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 72851131
(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119578639
(2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872759

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of (1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone (CID 119041736) is (1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for (1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)N1CCc2c(nc(C(C)C)n2C)C1.
What is the InChIKey of (1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone?
The InChIKey is MCOBYXCUCPXPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11(2)16-19-14-10-21(9-7-15(14)20(16)4)17(22)13-6-5-8-18-12(13)3/h5-6,8,11H,7,9-10H2,1-4H3.
What are the key properties of (1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone?
(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 119041736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).