methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate

C28H34FN5O2 — CID 126741702

IUPACmethyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(N2CCC3(CCN(C)CC3)CC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C28H34FN5O2/c1-32-14-10-28(11-15-32)12-16-33(17-13-28)23-18-22(27(35)36-2)30-26-24(23)25(19-4-3-5-19)31-34(26)21-8-6-20(29)7-9-21/h6-9,18-19H,3-5,10-17H2,1-2H3
InChIKeyCFFNGMLLVRWTEE-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.93
Rot. Bonds4

About methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate

methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126741702) has the molecular formula C28H34FN5O2 and a molecular weight of 491.61 g/mol. Its IUPAC name is methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126741702
Molecular FormulaC28H34FN5O2
Molecular Weight491.61 g/mol
Exact Mass491.27
IUPAC Namemethyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(N2CCC3(CCN(C)CC3)CC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C28H34FN5O2/c1-32-14-10-28(11-15-32)12-16-33(17-13-28)23-18-22(27(35)36-2)30-26-24(23)25(19-4-3-5-19)31-34(26)21-8-6-20(29)7-9-21/h6-9,18-19H,3-5,10-17H2,1-2H3
InChIKeyCFFNGMLLVRWTEE-UHFFFAOYSA-N
XLogP4.93
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)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-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate (CID 126741702) is methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1cc(N2CCC3(CCN(C)CC3)CC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1.
What is the InChIKey of methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is CFFNGMLLVRWTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O2/c1-32-14-10-28(11-15-32)12-16-33(17-13-28)23-18-22(27(35)36-2)30-26-24(23)25(19-4-3-5-19)31-34(26)21-8-6-20(29)7-9-21/h6-9,18-19H,3-5,10-17H2,1-2H3.
What are the key properties of methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate?
methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 491.61 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126741702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).