3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one

C21H19F2N3O — CID 164692477

IUPAC3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCc1ccc(F)c(F)c1)N1Cc2[nH]cnc2C(c2ccccc2)C1
InChIInChI=1S/C21H19F2N3O/c22-17-8-6-14(10-18(17)23)7-9-20(27)26-11-16(15-4-2-1-3-5-15)21-19(12-26)24-13-25-21/h1-6,8,10,13,16H,7,9,11-12H2,(H,24,25)
InChIKeyYQIGURUATOMFCZ-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.79
Rot. Bonds4

About 3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one

3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 164692477) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID164692477
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCc1ccc(F)c(F)c1)N1Cc2[nH]cnc2C(c2ccccc2)C1
InChIInChI=1S/C21H19F2N3O/c22-17-8-6-14(10-18(17)23)7-9-20(27)26-11-16(15-4-2-1-3-5-15)21-19(12-26)24-13-25-21/h1-6,8,10,13,16H,7,9,11-12H2,(H,24,25)
InChIKeyYQIGURUATOMFCZ-UHFFFAOYSA-N
XLogP3.79
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-difluorophenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164699015
4,4,4-trifluoro-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
CID 164692889
3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 164688938
2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 165428218
3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 164692153
2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 164689674
1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 164696999
(3-methylsulfanylphenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164698728
2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 164695789
(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 165418989
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 165417518
2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 165422608

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (CID 164692477) is 3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is O=C(CCc1ccc(F)c(F)c1)N1Cc2[nH]cnc2C(c2ccccc2)C1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is YQIGURUATOMFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c22-17-8-6-14(10-18(17)23)7-9-20(27)26-11-16(15-4-2-1-3-5-15)21-19(12-26)24-13-25-21/h1-6,8,10,13,16H,7,9,11-12H2,(H,24,25).
What are the key properties of 3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 367.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 164692477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).