4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C27H26N4O4 — CID 126743537

IUPAC4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C3CCCO3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C27H26N4O4/c32-27(33)22-17-21(18-8-10-19(11-9-18)30-12-15-34-16-13-30)24-25(23-7-4-14-35-23)29-31(26(24)28-22)20-5-2-1-3-6-20/h1-3,5-6,8-11,17,23H,4,7,12-16H2,(H,32,33)
InChIKeyQBVLSLNEJLPFRW-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.47
Rot. Bonds5

About 4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743537) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126743537
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C3CCCO3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C27H26N4O4/c32-27(33)22-17-21(18-8-10-19(11-9-18)30-12-15-34-16-13-30)24-25(23-7-4-14-35-23)29-31(26(24)28-22)20-5-2-1-3-6-20/h1-3,5-6,8-11,17,23H,4,7,12-16H2,(H,32,33)
InChIKeyQBVLSLNEJLPFRW-UHFFFAOYSA-N
XLogP4.47
TPSA89.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

3-[1-(cyanomethyl)azetidin-3-yl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743405
3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741913
3-cyclobutyl-1-(3-fluoro-4-methylphenyl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742814
4-[4-(4-acetylpiperazin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743323
1-cyclohexyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741501
3-methyl-4-[4-(oxan-4-ylamino)phenyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743471
propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742388
3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743622
N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742636
1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743328
4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743803
4-[4-[4-(cyanomethyl)piperazin-1-yl]phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743735

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743537) is 4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is O=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C3CCCO3)nn(-c3ccccc3)c2n1.
What is the InChIKey of 4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is QBVLSLNEJLPFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c32-27(33)22-17-21(18-8-10-19(11-9-18)30-12-15-34-16-13-30)24-25(23-7-4-14-35-23)29-31(26(24)28-22)20-5-2-1-3-6-20/h1-3,5-6,8-11,17,23H,4,7,12-16H2,(H,32,33).
What are the key properties of 4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 470.53 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).