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

C17H22N4O — CID 134690480

IUPAC1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone
SMILESCC(C)N1CCc2ncn(C)c2C1C(=O)Cc1ccccn1
InChIInChI=1S/C17H22N4O/c1-12(2)21-9-7-14-16(20(3)11-19-14)17(21)15(22)10-13-6-4-5-8-18-13/h4-6,8,11-12,17H,7,9-10H2,1-3H3
InChIKeyTVHYHLQXQDAHTP-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.93
Rot. Bonds4

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

1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone (PubChem CID 134690480) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone
PubChem CID134690480
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone
SMILESCC(C)N1CCc2ncn(C)c2C1C(=O)Cc1ccccn1
InChIInChI=1S/C17H22N4O/c1-12(2)21-9-7-14-16(20(3)11-19-14)17(21)15(22)10-13-6-4-5-8-18-13/h4-6,8,11-12,17H,7,9-10H2,1-3H3
InChIKeyTVHYHLQXQDAHTP-UHFFFAOYSA-N
XLogP1.93
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone with MolForge

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Related Compounds

1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone
CID 134690167
2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one
CID 134689351
3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155856391
[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 118738867
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
(4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 97442794
1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone
CID 159270457
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone
CID 105108004
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 111784685
1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone
CID 131165502
N-methyl-N-(1-methylpiperidin-4-yl)-2-pyridin-2-ylacetamide
CID 110468198
tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate
CID 46941819

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone (CID 134690480) is 1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone is CC(C)N1CCc2ncn(C)c2C1C(=O)Cc1ccccn1.
What is the InChIKey of 1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone?
The InChIKey is TVHYHLQXQDAHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)21-9-7-14-16(20(3)11-19-14)17(21)15(22)10-13-6-4-5-8-18-13/h4-6,8,11-12,17H,7,9-10H2,1-3H3.
What are the key properties of 1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone?
1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone has a molecular weight of 298.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 134690480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).