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

C16H18FN3O — CID 112533044

IUPAC3-(2-fluorophenyl)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCn1cnc2c1CN(C(=O)CCc1ccccc1F)CC2
InChIInChI=1S/C16H18FN3O/c1-19-11-18-14-8-9-20(10-15(14)19)16(21)7-6-12-4-2-3-5-13(12)17/h2-5,11H,6-10H2,1H3
InChIKeyDQXOTDLJNBSAJJ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.08
Rot. Bonds3

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

3-(2-fluorophenyl)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 112533044) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID112533044
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-(2-fluorophenyl)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCn1cnc2c1CN(C(=O)CCc1ccccc1F)CC2
InChIInChI=1S/C16H18FN3O/c1-19-11-18-14-8-9-20(10-15(14)19)16(21)7-6-12-4-2-3-5-13(12)17/h2-5,11H,6-10H2,1H3
InChIKeyDQXOTDLJNBSAJJ-UHFFFAOYSA-N
XLogP2.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-3-[(1R,5S)-3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-(3-fluorophenyl)propyl]acetamide
CID 50992721
1-(3-Fluoro-benzyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione
CID 708907
N,N-dimethyl-7-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)heptanamide
CID 25190475
(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
CID 10238900
(3-Fluorophenyl)(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)methanone
CID 7694170
2-Phenyl-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylethanone
CID 8030140
N,N-dibutyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 10361367
2-(6-Methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10498000
2-(2-Phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10520807
N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 10598186
2-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 10784005
2-(6-Iodo-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10790169

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one (CID 112533044) is 3-(2-fluorophenyl)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one is Cn1cnc2c1CN(C(=O)CCc1ccccc1F)CC2.
What is the InChIKey of 3-(2-fluorophenyl)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is DQXOTDLJNBSAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-19-11-18-14-8-9-20(10-15(14)19)16(21)7-6-12-4-2-3-5-13(12)17/h2-5,11H,6-10H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one?
3-(2-fluorophenyl)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 287.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 112533044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).