3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one

C14H18N4O — CID 91828745

IUPAC3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCc3nc[nH]c3C2)c(C)c1=O
InChIInChI=1S/C14H18N4O/c1-9-5-15-12(10(2)14(9)19)6-18-4-3-11-13(7-18)17-8-16-11/h5,8H,3-4,6-7H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyWYFYEOFAGZFLRI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.27
Rot. Bonds2

About 3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one

3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one (PubChem CID 91828745) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one
PubChem CID91828745
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCc3nc[nH]c3C2)c(C)c1=O
InChIInChI=1S/C14H18N4O/c1-9-5-15-12(10(2)14(9)19)6-18-4-3-11-13(7-18)17-8-16-11/h5,8H,3-4,6-7H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyWYFYEOFAGZFLRI-UHFFFAOYSA-N
XLogP1.27
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one with MolForge

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Related Compounds

3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one
CID 135106422
2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 156605323
5-[(4-piperidin-1-ylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 153288688
3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde
CID 12037662
3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 110712801
(4S)-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97191361
3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one
CID 91830839
5-[[3-(4-methoxyphenoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72929431
N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide
CID 21330726
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 134313832
2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 53145210

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one?
The IUPAC name of 3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one (CID 91828745) is 3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one?
The canonical SMILES for 3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one is Cc1c[nH]c(CN2CCc3nc[nH]c3C2)c(C)c1=O.
What is the InChIKey of 3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one?
The InChIKey is WYFYEOFAGZFLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-5-15-12(10(2)14(9)19)6-18-4-3-11-13(7-18)17-8-16-11/h5,8H,3-4,6-7H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one?
3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one has a molecular weight of 258.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one is sourced from PubChem (CID 91828745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).