(7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C21H16FN3O2 — CID 51971262

IUPAC(7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESC#CCOc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)cc1
InChIInChI=1S/C21H16FN3O2/c1-2-10-27-17-8-6-14(7-9-17)18-12-19(26)24-21-20(18)23-13-25(21)16-5-3-4-15(22)11-16/h1,3-9,11,13,18H,10,12H2,(H,24,26)/t18-/m1/s1
InChIKeyQJAMHPFBSFJLGX-GOSISDBHSA-N
MW361.38 g/mol
LogP3.50
Rot. Bonds4

About (7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

(7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51971262) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is (7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51971262
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name(7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESC#CCOc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)cc1
InChIInChI=1S/C21H16FN3O2/c1-2-10-27-17-8-6-14(7-9-17)18-12-19(26)24-21-20(18)23-13-25(21)16-5-3-4-15(22)11-16/h1,3-9,11,13,18H,10,12H2,(H,24,26)/t18-/m1/s1
InChIKeyQJAMHPFBSFJLGX-GOSISDBHSA-N
XLogP3.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 42655190
(7R)-7-(3,4-difluorophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51971543
3-(3-methoxyphenyl)-7-(3-methoxy-4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45492305
3-(3-methoxyphenyl)-7-(4-methoxy-3-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45494579
(7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51721876
(7R)-7-(3-fluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39047660
(7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973916
(7S)-3-(3-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973499
(7R)-3-(3,5-difluorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972950
(7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 95166421
(7R)-7-(4-fluorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973940
(7R)-3-(4-fluorophenyl)-7-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718414

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51971262) is (7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is C#CCOc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)cc1.
What is the InChIKey of (7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is QJAMHPFBSFJLGX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-2-10-27-17-8-6-14(7-9-17)18-12-19(26)24-21-20(18)23-13-25(21)16-5-3-4-15(22)11-16/h1,3-9,11,13,18H,10,12H2,(H,24,26)/t18-/m1/s1.
What are the key properties of (7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 361.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51971262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).