(7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C21H19F2N3O4 — CID 51972417

IUPAC(7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cc([C@H]2CC(=O)Nc3c2ncn3-c2cc(F)cc(F)c2)cc(OC)c1OC
InChIInChI=1S/C21H19F2N3O4/c1-28-16-4-11(5-17(29-2)20(16)30-3)15-9-18(27)25-21-19(15)24-10-26(21)14-7-12(22)6-13(23)8-14/h4-8,10,15H,9H2,1-3H3,(H,25,27)/t15-/m1/s1
InChIKeyAYRZDGFXYCKXFV-OAHLLOKOSA-N
MW415.40 g/mol
LogP3.65
Rot. Bonds5

About (7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

(7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51972417) has the molecular formula C21H19F2N3O4 and a molecular weight of 415.40 g/mol. Its IUPAC name is (7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51972417
Molecular FormulaC21H19F2N3O4
Molecular Weight415.40 g/mol
Exact Mass415.13
IUPAC Name(7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cc([C@H]2CC(=O)Nc3c2ncn3-c2cc(F)cc(F)c2)cc(OC)c1OC
InChIInChI=1S/C21H19F2N3O4/c1-28-16-4-11(5-17(29-2)20(16)30-3)15-9-18(27)25-21-19(15)24-10-26(21)14-7-12(22)6-13(23)8-14/h4-8,10,15H,9H2,1-3H3,(H,25,27)/t15-/m1/s1
InChIKeyAYRZDGFXYCKXFV-OAHLLOKOSA-N
XLogP3.65
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7R)-3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717534
(7R)-3-(3,5-difluorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972950
(7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717998
3-pyridin-3-yl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51043538
(7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973934
(7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39348703
(7S)-7-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51802228
(7R)-3-(4-fluorophenyl)-7-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718414
(7S)-7-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720187
7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45491419
7-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 42647913
(7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718140

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51972417) is (7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1cc([C@H]2CC(=O)Nc3c2ncn3-c2cc(F)cc(F)c2)cc(OC)c1OC.
What is the InChIKey of (7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is AYRZDGFXYCKXFV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19F2N3O4/c1-28-16-4-11(5-17(29-2)20(16)30-3)15-9-18(27)25-21-19(15)24-10-26(21)14-7-12(22)6-13(23)8-14/h4-8,10,15H,9H2,1-3H3,(H,25,27)/t15-/m1/s1.
What are the key properties of (7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 415.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51972417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).