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

C28H28N4O3 — CID 126741913

IUPAC3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC1(c2nn(-c3ccccc3)c3nc(C(=O)O)cc(-c4ccc(N5CCOCC5)cc4)c23)CCC1
InChIInChI=1S/C28H28N4O3/c1-28(12-5-13-28)25-24-22(19-8-10-20(11-9-19)31-14-16-35-17-15-31)18-23(27(33)34)29-26(24)32(30-25)21-6-3-2-4-7-21/h2-4,6-11,18H,5,12-17H2,1H3,(H,33,34)
InChIKeyHSDFIZXKXKHMLV-UHFFFAOYSA-N
MW468.56 g/mol
LogP5.06
Rot. Bonds5

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

3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126741913) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126741913
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC1(c2nn(-c3ccccc3)c3nc(C(=O)O)cc(-c4ccc(N5CCOCC5)cc4)c23)CCC1
InChIInChI=1S/C28H28N4O3/c1-28(12-5-13-28)25-24-22(19-8-10-20(11-9-19)31-14-16-35-17-15-31)18-23(27(33)34)29-26(24)32(30-25)21-6-3-2-4-7-21/h2-4,6-11,18H,5,12-17H2,1H3,(H,33,34)
InChIKeyHSDFIZXKXKHMLV-UHFFFAOYSA-N
XLogP5.06
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743537
3-[1-(cyanomethyl)azetidin-3-yl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743405
4-[4-(4-acetylpiperazin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743323
propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742388
1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743328
3-cyclobutyl-1-(3-fluoro-4-methylphenyl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742814
4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743803
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
4-[4-[4-(cyanomethyl)piperazin-1-yl]phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743735
ethyl 3-methyl-4-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742813
N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742636

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126741913) is 3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC1(c2nn(-c3ccccc3)c3nc(C(=O)O)cc(-c4ccc(N5CCOCC5)cc4)c23)CCC1.
What is the InChIKey of 3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is HSDFIZXKXKHMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-28(12-5-13-28)25-24-22(19-8-10-20(11-9-19)31-14-16-35-17-15-31)18-23(27(33)34)29-26(24)32(30-25)21-6-3-2-4-7-21/h2-4,6-11,18H,5,12-17H2,1H3,(H,33,34).
What are the key properties of 3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 468.56 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126741913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).