methyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate

C29H34N6O3 — CID 145290172

IUPACmethyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(N2CCC(N3CCOC(C#N)C3)CC2)c2c(C3CCC3)nn(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C29H34N6O3/c1-19-6-8-22(9-7-19)35-28-26(27(32-35)20-4-3-5-20)25(16-24(31-28)29(36)37-2)33-12-10-21(11-13-33)34-14-15-38-23(17-30)18-34/h6-9,16,20-21,23H,3-5,10-15,18H2,1-2H3
InChIKeyMYGLDMQJTZPQKC-UHFFFAOYSA-N
MW514.63 g/mol
LogP3.98
Rot. Bonds5

About methyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate

methyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 145290172) has the molecular formula C29H34N6O3 and a molecular weight of 514.63 g/mol. Its IUPAC name is methyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID145290172
Molecular FormulaC29H34N6O3
Molecular Weight514.63 g/mol
Exact Mass514.27
IUPAC Namemethyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(N2CCC(N3CCOC(C#N)C3)CC2)c2c(C3CCC3)nn(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C29H34N6O3/c1-19-6-8-22(9-7-19)35-28-26(27(32-35)20-4-3-5-20)25(16-24(31-28)29(36)37-2)33-12-10-21(11-13-33)34-14-15-38-23(17-30)18-34/h6-9,16,20-21,23H,3-5,10-15,18H2,1-2H3
InChIKeyMYGLDMQJTZPQKC-UHFFFAOYSA-N
XLogP3.98
TPSA96.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-[3-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743064
methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741878
methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxycarbonylpiperazin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742200
methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate;molecular hydrogen
CID 145290351
methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741500
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
ethane;ethyl 3-cyclobutyl-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 145290255
ethyl 3-cyclobutyl-1-(2-methoxy-4-pyridinyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743604
3-cyclobutyl-4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741573
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-(3,9-diazaspiro[5.5]undecan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741626
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

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate (CID 145290172) is methyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1cc(N2CCC(N3CCOC(C#N)C3)CC2)c2c(C3CCC3)nn(-c3ccc(C)cc3)c2n1.
What is the InChIKey of methyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is MYGLDMQJTZPQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O3/c1-19-6-8-22(9-7-19)35-28-26(27(32-35)20-4-3-5-20)25(16-24(31-28)29(36)37-2)33-12-10-21(11-13-33)34-14-15-38-23(17-30)18-34/h6-9,16,20-21,23H,3-5,10-15,18H2,1-2H3.
What are the key properties of methyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
methyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 514.63 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(2-cyanomorpholin-4-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 145290172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).