methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate

C25H28N4O3 — CID 126742196

IUPACmethyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(N2CC3(CCCCO3)C2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C25H28N4O3/c1-31-24(30)19-14-20(28-15-25(16-28)12-5-6-13-32-25)21-22(17-8-7-9-17)27-29(23(21)26-19)18-10-3-2-4-11-18/h2-4,10-11,14,17H,5-9,12-13,15-16H2,1H3
InChIKeyYNONLCZSMYRKPX-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.23
Rot. Bonds4

About methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate

methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126742196) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126742196
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Namemethyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(N2CC3(CCCCO3)C2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C25H28N4O3/c1-31-24(30)19-14-20(28-15-25(16-28)12-5-6-13-32-25)21-22(17-8-7-9-17)27-29(23(21)26-19)18-10-3-2-4-11-18/h2-4,10-11,14,17H,5-9,12-13,15-16H2,1H3
InChIKeyYNONLCZSMYRKPX-UHFFFAOYSA-N
XLogP4.23
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741500
methyl 4-(1-acetyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742234
methyl 3-cyclobutyl-1-phenyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741740
methyl 3-cyclobutyl-4-[4-fluoro-4-(2-methoxyethoxymethyl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742597
4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742632
3-cyclobutyl-4-(4-formylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743494
3-cyclobutyl-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743859
3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743622
methyl 3-cyclobutyl-4-(3,9-diazaspiro[5.5]undecan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741626
3-cyclobutyl-4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741573
3-cyclobutyl-4-[4-(3-methoxypropyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743177
methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742570

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126742196) is methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1cc(N2CC3(CCCCO3)C2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.
What is the InChIKey of methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is YNONLCZSMYRKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-24(30)19-14-20(28-15-25(16-28)12-5-6-13-32-25)21-22(17-8-7-9-17)27-29(23(21)26-19)18-10-3-2-4-11-18/h2-4,10-11,14,17H,5-9,12-13,15-16H2,1H3.
What are the key properties of methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate?
methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126742196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).