(2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C21H19F2N3O2 — CID 72864184

IUPAC(2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1cccc(-c2nc3c([nH]2)CN(C(=O)c2c(F)ccc(C)c2F)CC3)c1
InChIInChI=1S/C21H19F2N3O2/c1-12-6-7-15(22)18(19(12)23)21(27)26-9-8-16-17(11-26)25-20(24-16)13-4-3-5-14(10-13)28-2/h3-7,10H,8-9,11H2,1-2H3,(H,24,25)
InChIKeyYHZLJWDTJNEKIM-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.87
Rot. Bonds3

About (2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 72864184) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID72864184
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name(2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1cccc(-c2nc3c([nH]2)CN(C(=O)c2c(F)ccc(C)c2F)CC3)c1
InChIInChI=1S/C21H19F2N3O2/c1-12-6-7-15(22)18(19(12)23)21(27)26-9-8-16-17(11-26)25-20(24-16)13-4-3-5-14(10-13)28-2/h3-7,10H,8-9,11H2,1-2H3,(H,24,25)
InChIKeyYHZLJWDTJNEKIM-UHFFFAOYSA-N
XLogP3.87
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 72849051
(2R)-1-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(4-methylpiperazin-1-yl)propan-1-one
CID 97435822
(2S)-2-hydroxy-1-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 72844581
5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72922947
2-(3-methoxyphenyl)-5-pyridin-4-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72866371
2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 97455433
N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
CID 72844258
2-[[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 72909849
1,6-dimethyl-3-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
CID 72888149
N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 74248478
[3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol
CID 91766717
3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91762486

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 72864184) is (2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is COc1cccc(-c2nc3c([nH]2)CN(C(=O)c2c(F)ccc(C)c2F)CC3)c1.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is YHZLJWDTJNEKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-12-6-7-15(22)18(19(12)23)21(27)26-9-8-16-17(11-26)25-20(24-16)13-4-3-5-14(10-13)28-2/h3-7,10H,8-9,11H2,1-2H3,(H,24,25).
What are the key properties of (2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 383.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 72864184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).