(7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C21H18F3N3O3 — CID 51721915

IUPAC(7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c1OC
InChIInChI=1S/C21H18F3N3O3/c1-29-16-8-4-7-14(19(16)30-2)15-10-17(28)26-20-18(15)25-11-27(20)13-6-3-5-12(9-13)21(22,23)24/h3-9,11,15H,10H2,1-2H3,(H,26,28)/t15-/m1/s1
InChIKeyNPVFEUAQIZTIEA-OAHLLOKOSA-N
MW417.39 g/mol
LogP4.38
Rot. Bonds4

About (7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

(7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51721915) has the molecular formula C21H18F3N3O3 and a molecular weight of 417.39 g/mol. Its IUPAC name is (7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51721915
Molecular FormulaC21H18F3N3O3
Molecular Weight417.39 g/mol
Exact Mass417.13
IUPAC Name(7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c1OC
InChIInChI=1S/C21H18F3N3O3/c1-29-16-8-4-7-14(19(16)30-2)15-10-17(28)26-20-18(15)25-11-27(20)13-6-3-5-12(9-13)21(22,23)24/h3-9,11,15H,10H2,1-2H3,(H,26,28)/t15-/m1/s1
InChIKeyNPVFEUAQIZTIEA-OAHLLOKOSA-N
XLogP4.38
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45496047
3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45495956
(7R)-7-(2,3-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720425
(7R)-3-(4-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720291
3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45493620
(7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717998
(7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51688581
(7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719484
(7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972316
(7S)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972315
(7S)-7-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720187
(7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39348703

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51721915) is (7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c1OC.
What is the InChIKey of (7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is NPVFEUAQIZTIEA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H18F3N3O3/c1-29-16-8-4-7-14(19(16)30-2)15-10-17(28)26-20-18(15)25-11-27(20)13-6-3-5-12(9-13)21(22,23)24/h3-9,11,15H,10H2,1-2H3,(H,26,28)/t15-/m1/s1.
What are the key properties of (7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 417.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51721915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).