3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide

C25H25N5O4S — CID 126742274

IUPAC3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1nn(-c2ccccc2)c2nc(C(=O)NS(C)(=O)=O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C25H25N5O4S/c1-17-23-21(18-8-10-19(11-9-18)29-12-14-34-15-13-29)16-22(25(31)28-35(2,32)33)26-24(23)30(27-17)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,28,31)
InChIKeyBDJNPORJVYSUKM-UHFFFAOYSA-N
MW491.57 g/mol
LogP2.92
Rot. Bonds5

About 3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide

3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126742274) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is 3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126742274
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC Name3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1nn(-c2ccccc2)c2nc(C(=O)NS(C)(=O)=O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C25H25N5O4S/c1-17-23-21(18-8-10-19(11-9-18)29-12-14-34-15-13-29)16-22(25(31)28-35(2,32)33)26-24(23)30(27-17)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,28,31)
InChIKeyBDJNPORJVYSUKM-UHFFFAOYSA-N
XLogP2.92
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 126742274) is 3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide is Cc1nn(-c2ccccc2)c2nc(C(=O)NS(C)(=O)=O)cc(-c3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is BDJNPORJVYSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-17-23-21(18-8-10-19(11-9-18)29-12-14-34-15-13-29)16-22(25(31)28-35(2,32)33)26-24(23)30(27-17)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,28,31).
What are the key properties of 3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126742274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).