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

C28H26FN3O4 — CID 135652316

IUPAC4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-n2nc(C)c3c2NC(=O)CC3c2ccc(OCc3ccccc3F)c(OC)c2)cc1
InChIInChI=1S/C28H26FN3O4/c1-17-27-22(15-26(33)30-28(27)32(31-17)20-9-11-21(34-2)12-10-20)18-8-13-24(25(14-18)35-3)36-16-19-6-4-5-7-23(19)29/h4-14,22H,15-16H2,1-3H3,(H,30,33)
InChIKeySZSMKKVSXYTQJW-UHFFFAOYSA-N
MW487.53 g/mol
LogP5.39
Rot. Bonds7

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

4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135652316) has the molecular formula C28H26FN3O4 and a molecular weight of 487.53 g/mol. Its IUPAC name is 4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135652316
Molecular FormulaC28H26FN3O4
Molecular Weight487.53 g/mol
Exact Mass487.19
IUPAC Name4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-n2nc(C)c3c2NC(=O)CC3c2ccc(OCc3ccccc3F)c(OC)c2)cc1
InChIInChI=1S/C28H26FN3O4/c1-17-27-22(15-26(33)30-28(27)32(31-17)20-9-11-21(34-2)12-10-20)18-8-13-24(25(14-18)35-3)36-16-19-6-4-5-7-23(19)29/h4-14,22H,15-16H2,1-3H3,(H,30,33)
InChIKeySZSMKKVSXYTQJW-UHFFFAOYSA-N
XLogP5.39
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.53
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135652316) is 4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(-n2nc(C)c3c2NC(=O)CC3c2ccc(OCc3ccccc3F)c(OC)c2)cc1.
What is the InChIKey of 4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is SZSMKKVSXYTQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O4/c1-17-27-22(15-26(33)30-28(27)32(31-17)20-9-11-21(34-2)12-10-20)18-8-13-24(25(14-18)35-3)36-16-19-6-4-5-7-23(19)29/h4-14,22H,15-16H2,1-3H3,(H,30,33).
What are the key properties of 4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 487.53 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135652316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).