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

C19H26N4O — CID 134690167

IUPAC1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone
SMILESCC(C)N1CCc2ncn(C(C)C)c2C1C(=O)Cc1ccccn1
InChIInChI=1S/C19H26N4O/c1-13(2)22-10-8-16-18(23(12-21-16)14(3)4)19(22)17(24)11-15-7-5-6-9-20-15/h5-7,9,12-14,19H,8,10-11H2,1-4H3
InChIKeyXFMTZFOUKYUPLZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.98
Rot. Bonds5

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

1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone (PubChem CID 134690167) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone
PubChem CID134690167
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone
SMILESCC(C)N1CCc2ncn(C(C)C)c2C1C(=O)Cc1ccccn1
InChIInChI=1S/C19H26N4O/c1-13(2)22-10-8-16-18(23(12-21-16)14(3)4)19(22)17(24)11-15-7-5-6-9-20-15/h5-7,9,12-14,19H,8,10-11H2,1-4H3
InChIKeyXFMTZFOUKYUPLZ-UHFFFAOYSA-N
XLogP2.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3,5-di(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-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-2-pyridin-2-ylethanone
CID 134690480
[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 118738867
(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
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone
CID 159270457
(5-benzyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 134075343
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone
CID 105108004
5-benzyl-N-(2,4-difluorophenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131642650
5-benzyl-N-(3-morpholin-4-ylpropyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131660694
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 111784685
(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid
CID 67240305
tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate
CID 46941819

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone (CID 134690167) is 1-[3,5-di(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-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone is CC(C)N1CCc2ncn(C(C)C)c2C1C(=O)Cc1ccccn1.
What is the InChIKey of 1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone?
The InChIKey is XFMTZFOUKYUPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)22-10-8-16-18(23(12-21-16)14(3)4)19(22)17(24)11-15-7-5-6-9-20-15/h5-7,9,12-14,19H,8,10-11H2,1-4H3.
What are the key properties of 1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone?
1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone has a molecular weight of 326.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 134690167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).