[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone

C20H24F2N4O — CID 72924034

IUPAC[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone
SMILESCN1CCCCCC1C(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1
InChIInChI=1S/C20H24F2N4O/c1-25-9-4-2-3-5-18(25)20(27)26-10-8-16-17(12-26)24-19(23-16)14-7-6-13(21)11-15(14)22/h6-7,11,18H,2-5,8-10,12H2,1H3,(H,23,24)
InChIKeyNHHUYQKUCRTNOF-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.11
Rot. Bonds2

About [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone

[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone (PubChem CID 72924034) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone
PubChem CID72924034
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC Name[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone
SMILESCN1CCCCCC1C(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1
InChIInChI=1S/C20H24F2N4O/c1-25-9-4-2-3-5-18(25)20(27)26-10-8-16-17(12-26)24-19(23-16)14-7-6-13(21)11-15(14)22/h6-7,11,18H,2-5,8-10,12H2,1H3,(H,23,24)
InChIKeyNHHUYQKUCRTNOF-UHFFFAOYSA-N
XLogP3.11
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

(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
4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one
CID 72869686
4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 124680303
(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
[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 72869829
(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
N-cyclohexyl-2-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]acetamide
CID 74237829
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
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
6-(cyclopentanecarbonyl)-2-(2-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622522

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone?
The IUPAC name of [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone (CID 72924034) is [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone.
What is the SMILES notation for [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone?
The canonical SMILES for [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone is CN1CCCCCC1C(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1.
What is the InChIKey of [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone?
The InChIKey is NHHUYQKUCRTNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O/c1-25-9-4-2-3-5-18(25)20(27)26-10-8-16-17(12-26)24-19(23-16)14-7-6-13(21)11-15(14)22/h6-7,11,18H,2-5,8-10,12H2,1H3,(H,23,24).
What are the key properties of [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone?
[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone is sourced from PubChem (CID 72924034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).