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

C23H25N3O4 — CID 51718140

IUPAC(7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(OC(C)C)c(OC)c2)cc1
InChIInChI=1S/C23H25N3O4/c1-14(2)30-19-10-5-15(11-20(19)29-4)18-12-21(27)25-23-22(18)24-13-26(23)16-6-8-17(28-3)9-7-16/h5-11,13-14,18H,12H2,1-4H3,(H,25,27)/t18-/m0/s1
InChIKeyUYTACBIGITZACQ-SFHVURJKSA-N
MW407.47 g/mol
LogP4.15
Rot. Bonds6

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

(7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51718140) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51718140
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(OC(C)C)c(OC)c2)cc1
InChIInChI=1S/C23H25N3O4/c1-14(2)30-19-10-5-15(11-20(19)29-4)18-12-21(27)25-23-22(18)24-13-26(23)16-6-8-17(28-3)9-7-16/h5-11,13-14,18H,12H2,1-4H3,(H,25,27)/t18-/m0/s1
InChIKeyUYTACBIGITZACQ-SFHVURJKSA-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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Frequently Asked Questions

What is the IUPAC name of (7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51718140) is (7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(OC(C)C)c(OC)c2)cc1.
What is the InChIKey of (7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is UYTACBIGITZACQ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-14(2)30-19-10-5-15(11-20(19)29-4)18-12-21(27)25-23-22(18)24-13-26(23)16-6-8-17(28-3)9-7-16/h5-11,13-14,18H,12H2,1-4H3,(H,25,27)/t18-/m0/s1.
What are the key properties of (7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-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 (7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51718140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).