methyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate

C30H37FN6O4 — CID 126741733

IUPACmethyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCN(C2CCN(c3cc(C(=O)OC)nc4c3c(C3CCC3)nn4-c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C30H37FN6O4/c1-3-41-30(39)36-17-15-34(16-18-36)22-11-13-35(14-12-22)25-19-24(29(38)40-2)32-28-26(25)27(20-5-4-6-20)33-37(28)23-9-7-21(31)8-10-23/h7-10,19-20,22H,3-6,11-18H2,1-2H3
InChIKeyPUVICOCEMSVEEQ-UHFFFAOYSA-N
MW564.66 g/mol
LogP4.36
Rot. Bonds6

About methyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate

methyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126741733) has the molecular formula C30H37FN6O4 and a molecular weight of 564.66 g/mol. Its IUPAC name is methyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126741733
Molecular FormulaC30H37FN6O4
Molecular Weight564.66 g/mol
Exact Mass564.29
IUPAC Namemethyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCN(C2CCN(c3cc(C(=O)OC)nc4c3c(C3CCC3)nn4-c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C30H37FN6O4/c1-3-41-30(39)36-17-15-34(16-18-36)22-11-13-35(14-12-22)25-19-24(29(38)40-2)32-28-26(25)27(20-5-4-6-20)33-37(28)23-9-7-21(31)8-10-23/h7-10,19-20,22H,3-6,11-18H2,1-2H3
InChIKeyPUVICOCEMSVEEQ-UHFFFAOYSA-N
XLogP4.36
TPSA93.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.66
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

3-cyclobutyl-1-(4-fluorophenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741413
1-Cyclohexyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741501
3-Cyclobutyl-4-[4-[2-methoxyethyl(methyl)amino]phenyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741509
3-(1-Methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741913
1-Cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742013
3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742074
3-Cyclobutyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742219
1-(3-Fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742312
3-Methyl-4-(4-morpholinophenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
CID 126742476
3-Cyclobutyl-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742549
3-Methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742967
3-(Hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743063

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate (CID 126741733) is methyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)N1CCN(C2CCN(c3cc(C(=O)OC)nc4c3c(C3CCC3)nn4-c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of methyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is PUVICOCEMSVEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN6O4/c1-3-41-30(39)36-17-15-34(16-18-36)22-11-13-35(14-12-22)25-19-24(29(38)40-2)32-28-26(25)27(20-5-4-6-20)33-37(28)23-9-7-21(31)8-10-23/h7-10,19-20,22H,3-6,11-18H2,1-2H3.
What are the key properties of methyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
methyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 564.66 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126741733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).