(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one

C17H19F2N3O2 — CID 97436187

IUPAC(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)[C@@H](O)C(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1
InChIInChI=1S/C17H19F2N3O2/c1-9(2)15(23)17(24)22-6-5-13-14(8-22)21-16(20-13)11-4-3-10(18)7-12(11)19/h3-4,7,9,15,23H,5-6,8H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyKEVRRGJWBPJFOT-OAHLLOKOSA-N
MW335.35 g/mol
LogP2.26
Rot. Bonds3

About (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one

(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one (PubChem CID 97436187) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one
PubChem CID97436187
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)[C@@H](O)C(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1
InChIInChI=1S/C17H19F2N3O2/c1-9(2)15(23)17(24)22-6-5-13-14(8-22)21-16(20-13)11-4-3-10(18)7-12(11)19/h3-4,7,9,15,23H,5-6,8H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyKEVRRGJWBPJFOT-OAHLLOKOSA-N
XLogP2.26
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one with MolForge

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Related Compounds

(2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride
CID 154901364
(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one
CID 97437934
(2R)-2-cyclohexyl-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxyethanone
CID 72856608
2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 72855340
[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 72869829
[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone
CID 72924034
3-[2-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 72854991
4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one
CID 72869686
N-cyclohexyl-2-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]acetamide
CID 74237829
5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 74235878
2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 72882017
2-[4-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methylpyrazol-1-yl]ethanol
CID 74241012

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one?
The IUPAC name of (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one (CID 97436187) is (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one?
The canonical SMILES for (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one is CC(C)[C@@H](O)C(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1.
What is the InChIKey of (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one?
The InChIKey is KEVRRGJWBPJFOT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-9(2)15(23)17(24)22-6-5-13-14(8-22)21-16(20-13)11-4-3-10(18)7-12(11)19/h3-4,7,9,15,23H,5-6,8H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one?
(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one has a molecular weight of 335.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 97436187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).