1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C26H30F2N4O3 — CID 126741964

IUPAC1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(C2CCC(F)(F)CC2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C26H30F2N4O3/c1-16(2)23-22-20(17-3-5-18(6-4-17)31-11-13-35-14-12-31)15-21(25(33)34)29-24(22)32(30-23)19-7-9-26(27,28)10-8-19/h3-6,15-16,19H,7-14H2,1-2H3,(H,33,34)
InChIKeyCWGMEKFTFIYYBV-UHFFFAOYSA-N
MW484.55 g/mol
LogP5.51
Rot. Bonds5

About 1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126741964) has the molecular formula C26H30F2N4O3 and a molecular weight of 484.55 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126741964
Molecular FormulaC26H30F2N4O3
Molecular Weight484.55 g/mol
Exact Mass484.23
IUPAC Name1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(C2CCC(F)(F)CC2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C26H30F2N4O3/c1-16(2)23-22-20(17-3-5-18(6-4-17)31-11-13-35-14-12-31)15-21(25(33)34)29-24(22)32(30-23)19-7-9-26(27,28)10-8-19/h3-6,15-16,19H,7-14H2,1-2H3,(H,33,34)
InChIKeyCWGMEKFTFIYYBV-UHFFFAOYSA-N
XLogP5.51
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid 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 1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126741964) is 1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)c1nn(C2CCC(F)(F)CC2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is CWGMEKFTFIYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4O3/c1-16(2)23-22-20(17-3-5-18(6-4-17)31-11-13-35-14-12-31)15-21(25(33)34)29-24(22)32(30-23)19-7-9-26(27,28)10-8-19/h3-6,15-16,19H,7-14H2,1-2H3,(H,33,34).
What are the key properties of 1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 484.55 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126741964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).