N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide

C28H28F3N5O5S — CID 126742730

IUPACN-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)c1nn(-c2cccc(OC(F)(F)F)c2)c2nc(C(=O)NS(C)(=O)=O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C28H28F3N5O5S/c1-17(2)25-24-22(18-7-9-19(10-8-18)35-11-13-40-14-12-35)16-23(27(37)34-42(3,38)39)32-26(24)36(33-25)20-5-4-6-21(15-20)41-28(29,30)31/h4-10,15-17H,11-14H2,1-3H3,(H,34,37)
InChIKeyCPBCOVXTELNDEI-UHFFFAOYSA-N
MW603.62 g/mol
LogP4.64
Rot. Bonds7

About N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide

N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126742730) has the molecular formula C28H28F3N5O5S and a molecular weight of 603.62 g/mol. Its IUPAC name is N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126742730
Molecular FormulaC28H28F3N5O5S
Molecular Weight603.62 g/mol
Exact Mass603.18
IUPAC NameN-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)c1nn(-c2cccc(OC(F)(F)F)c2)c2nc(C(=O)NS(C)(=O)=O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C28H28F3N5O5S/c1-17(2)25-24-22(18-7-9-19(10-8-18)35-11-13-40-14-12-35)16-23(27(37)34-42(3,38)39)32-26(24)36(33-25)20-5-4-6-21(15-20)41-28(29,30)31/h4-10,15-17H,11-14H2,1-3H3,(H,34,37)
InChIKeyCPBCOVXTELNDEI-UHFFFAOYSA-N
XLogP4.64
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.62
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743803
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
N-ethylsulfonyl-1-(3-methoxyphenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742646
1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743328
N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742636
4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743242
N-ethylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742175
ethyl 4-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743814
1-(3-fluorophenyl)-4-[4-[methyl(oxan-4-yl)amino]phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743259
propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742388
N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741598
4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 175083925

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide (CID 126742730) is N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide is CC(C)c1nn(-c2cccc(OC(F)(F)F)c2)c2nc(C(=O)NS(C)(=O)=O)cc(-c3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is CPBCOVXTELNDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O5S/c1-17(2)25-24-22(18-7-9-19(10-8-18)35-11-13-40-14-12-35)16-23(27(37)34-42(3,38)39)32-26(24)36(33-25)20-5-4-6-21(15-20)41-28(29,30)31/h4-10,15-17H,11-14H2,1-3H3,(H,34,37).
What are the key properties of N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide?
N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 603.62 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126742730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).