2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone

C20H24F2N4O — CID 72855340

IUPAC2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCN(CC(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1)C1CCCC1
InChIInChI=1S/C20H24F2N4O/c1-25(14-4-2-3-5-14)12-19(27)26-9-8-17-18(11-26)24-20(23-17)15-7-6-13(21)10-16(15)22/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,23,24)
InChIKeyVHLDOOYWYMBRCS-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.11
Rot. Bonds4

About 2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone

2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 72855340) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
PubChem CID72855340
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC Name2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCN(CC(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1)C1CCCC1
InChIInChI=1S/C20H24F2N4O/c1-25(14-4-2-3-5-14)12-19(27)26-9-8-17-18(11-26)24-20(23-17)15-7-6-13(21)10-16(15)22/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,23,24)
InChIKeyVHLDOOYWYMBRCS-UHFFFAOYSA-N
XLogP3.11
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone
CID 72924034
(2R)-2-cyclohexyl-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxyethanone
CID 72856608
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
(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
(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one
CID 97437934
(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
N-cyclohexyl-2-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]acetamide
CID 74237829
4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one
CID 72869686
[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 72869829
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
(2R,3R)-2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[methyl(oxan-4-yl)amino]ethanone
CID 175709030
N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 74248478

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone (CID 72855340) is 2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone is CN(CC(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is VHLDOOYWYMBRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O/c1-25(14-4-2-3-5-14)12-19(27)26-9-8-17-18(11-26)24-20(23-17)15-7-6-13(21)10-16(15)22/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,23,24).
What are the key properties of 2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 374.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 72855340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).