3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C23H25N3O4 — CID 45495956

IUPAC3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cccc(-n2cnc3c2NC(=O)CC3c2cccc(OC)c2OC(C)C)c1
InChIInChI=1S/C23H25N3O4/c1-14(2)30-22-17(9-6-10-19(22)29-4)18-12-20(27)25-23-21(18)24-13-26(23)15-7-5-8-16(11-15)28-3/h5-11,13-14,18H,12H2,1-4H3,(H,25,27)
InChIKeyFWLAEROCODOUHD-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.15
Rot. Bonds6

About 3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 45495956) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID45495956
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cccc(-n2cnc3c2NC(=O)CC3c2cccc(OC)c2OC(C)C)c1
InChIInChI=1S/C23H25N3O4/c1-14(2)30-22-17(9-6-10-19(22)29-4)18-12-20(27)25-23-21(18)24-13-26(23)15-7-5-8-16(11-15)28-3/h5-11,13-14,18H,12H2,1-4H3,(H,25,27)
InChIKeyFWLAEROCODOUHD-UHFFFAOYSA-N
XLogP4.15
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7R)-3-(4-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720291
(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
(7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719691
(7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719484
(7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51721915
(7S)-7-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720187
(7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51721876
7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45496047
(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046577
(7R)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046581
3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45493620

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of 3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 45495956) is 3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1cccc(-n2cnc3c2NC(=O)CC3c2cccc(OC)c2OC(C)C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is FWLAEROCODOUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-14(2)30-22-17(9-6-10-19(22)29-4)18-12-20(27)25-23-21(18)24-13-26(23)15-7-5-8-16(11-15)28-3/h5-11,13-14,18H,12H2,1-4H3,(H,25,27).
What are the key properties of 3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 407.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 45495956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).