4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C27H24FN3O3 — CID 135653065

IUPAC4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-n2nc(C)c3c2NC(=O)CC3c2ccccc2OCc2ccc(F)cc2)cc1
InChIInChI=1S/C27H24FN3O3/c1-17-26-23(22-5-3-4-6-24(22)34-16-18-7-9-19(28)10-8-18)15-25(32)29-27(26)31(30-17)20-11-13-21(33-2)14-12-20/h3-14,23H,15-16H2,1-2H3,(H,29,32)
InChIKeyGFOASFGJHHKCPE-UHFFFAOYSA-N
MW457.51 g/mol
LogP5.38
Rot. Bonds6

About 4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135653065) has the molecular formula C27H24FN3O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135653065
Molecular FormulaC27H24FN3O3
Molecular Weight457.51 g/mol
Exact Mass457.18
IUPAC Name4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-n2nc(C)c3c2NC(=O)CC3c2ccccc2OCc2ccc(F)cc2)cc1
InChIInChI=1S/C27H24FN3O3/c1-17-26-23(22-5-3-4-6-24(22)34-16-18-7-9-19(28)10-8-18)15-25(32)29-27(26)31(30-17)20-11-13-21(33-2)14-12-20/h3-14,23H,15-16H2,1-2H3,(H,29,32)
InChIKeyGFOASFGJHHKCPE-UHFFFAOYSA-N
XLogP5.38
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-{2-[(2-fluorobenzyl)oxy]phenyl}-1-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135653291
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-9H-xanthene-9-carboxamide
CID 135735901
N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 3399743
N-(4-Ethoxyphenyl)-3-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-A]pyrimidin-6-YL}propanamide
CID 16008536
N-[3-(2-methoxyphenyl)-1-phenyl-1H-pyrazol-5-yl]-2-phenoxybutanamide
CID 16030795
N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 24981327
2-(3-fluorophenyl)-1-[2-methyl-3-(2-phenoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 134806775
N-(4-ethoxyphenyl)-3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 16008488
1-(4,6-Dimethylpyrimidin-2-YL)-3-methyl-4-[2-(propan-2-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-6-one
CID 135546811
N-(4-Ethoxyphenyl)-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamide
CID 16012509
2-(3-methoxyphenyl)-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 134805838
5-[(4-ethoxyanilino)methyl]-3-(4-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135418058

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135653065) is 4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(-n2nc(C)c3c2NC(=O)CC3c2ccccc2OCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is GFOASFGJHHKCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3/c1-17-26-23(22-5-3-4-6-24(22)34-16-18-7-9-19(28)10-8-18)15-25(32)29-27(26)31(30-17)20-11-13-21(33-2)14-12-20/h3-14,23H,15-16H2,1-2H3,(H,29,32).
What are the key properties of 4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 457.51 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methoxy]phenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135653065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).