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

C25H28FN5O4 — CID 126741877

IUPACmethyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C(=O)OC)nc3c2c(C2CCC2)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C25H28FN5O4/c1-3-35-25(33)30-13-11-29(12-14-30)20-15-19(24(32)34-2)27-23-21(20)22(16-5-4-6-16)28-31(23)18-9-7-17(26)8-10-18/h7-10,15-16H,3-6,11-14H2,1-2H3
InChIKeyUHQBPAJRNHIRMQ-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.89
Rot. Bonds5

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

methyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126741877) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is methyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126741877
Molecular FormulaC25H28FN5O4
Molecular Weight481.53 g/mol
Exact Mass481.21
IUPAC Namemethyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C(=O)OC)nc3c2c(C2CCC2)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C25H28FN5O4/c1-3-35-25(33)30-13-11-29(12-14-30)20-15-19(24(32)34-2)27-23-21(20)22(16-5-4-6-16)28-31(23)18-9-7-17(26)8-10-18/h7-10,15-16H,3-6,11-14H2,1-2H3
InChIKeyUHQBPAJRNHIRMQ-UHFFFAOYSA-N
XLogP3.89
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate (CID 126741877) is methyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)N1CCN(c2cc(C(=O)OC)nc3c2c(C2CCC2)nn3-c2ccc(F)cc2)CC1.
What is the InChIKey of methyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is UHQBPAJRNHIRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O4/c1-3-35-25(33)30-13-11-29(12-14-30)20-15-19(24(32)34-2)27-23-21(20)22(16-5-4-6-16)28-31(23)18-9-7-17(26)8-10-18/h7-10,15-16H,3-6,11-14H2,1-2H3.
What are the key properties of methyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
methyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 481.53 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclobutyl-4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126741877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).