N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide

C29H31N5O5S — CID 126742636

IUPACN-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)Oc1nn(-c2ccccc2)c2nc(C(=O)NS(=O)(=O)C3CC3)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C29H31N5O5S/c1-19(2)39-29-26-24(20-8-10-21(11-9-20)33-14-16-38-17-15-33)18-25(28(35)32-40(36,37)23-12-13-23)30-27(26)34(31-29)22-6-4-3-5-7-22/h3-11,18-19,23H,12-17H2,1-2H3,(H,32,35)
InChIKeyJJNQZEIKCADMEH-UHFFFAOYSA-N
MW561.66 g/mol
LogP3.93
Rot. Bonds8

About N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide

N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126742636) has the molecular formula C29H31N5O5S and a molecular weight of 561.66 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126742636
Molecular FormulaC29H31N5O5S
Molecular Weight561.66 g/mol
Exact Mass561.20
IUPAC NameN-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)Oc1nn(-c2ccccc2)c2nc(C(=O)NS(=O)(=O)C3CC3)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C29H31N5O5S/c1-19(2)39-29-26-24(20-8-10-21(11-9-20)33-14-16-38-17-15-33)18-25(28(35)32-40(36,37)23-12-13-23)30-27(26)34(31-29)22-6-4-3-5-7-22/h3-11,18-19,23H,12-17H2,1-2H3,(H,32,35)
InChIKeyJJNQZEIKCADMEH-UHFFFAOYSA-N
XLogP3.93
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.66
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742388
1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742748
N-ethylsulfonyl-1-(3-methoxyphenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742646
N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742730
4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743537
3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741913
4-[4-[methyl(oxan-4-yl)amino]phenyl]-N-methylsulfonyl-3-propan-2-yl-1-(3-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742424
1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742440
1-cyclohexyl-3-propan-2-yloxy-4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742627
4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743803
1-cyclohexyl-4-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742338
3-[1-(cyanomethyl)azetidin-3-yl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743405

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide (CID 126742636) is N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide is CC(C)Oc1nn(-c2ccccc2)c2nc(C(=O)NS(=O)(=O)C3CC3)cc(-c3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is JJNQZEIKCADMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O5S/c1-19(2)39-29-26-24(20-8-10-21(11-9-20)33-14-16-38-17-15-33)18-25(28(35)32-40(36,37)23-12-13-23)30-27(26)34(31-29)22-6-4-3-5-7-22/h3-11,18-19,23H,12-17H2,1-2H3,(H,32,35).
What are the key properties of N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide?
N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 561.66 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126742636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).