1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C22H27N5O3S — CID 25469310

IUPAC1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c12
InChIInChI=1S/C22H27N5O3S/c1-14(2)19-13-18(20-15(3)25-26(4)21(20)24-19)22(28)23-16-8-7-9-17(12-16)31(29,30)27-10-5-6-11-27/h7-9,12-14H,5-6,10-11H2,1-4H3,(H,23,28)
InChIKeyXTAZLLMGXOYOLV-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.44
Rot. Bonds5

About 1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 25469310) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID25469310
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC Name1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c12
InChIInChI=1S/C22H27N5O3S/c1-14(2)19-13-18(20-15(3)25-26(4)21(20)24-19)22(28)23-16-8-7-9-17(12-16)31(29,30)27-10-5-6-11-27/h7-9,12-14H,5-6,10-11H2,1-4H3,(H,23,28)
InChIKeyXTAZLLMGXOYOLV-UHFFFAOYSA-N
XLogP3.44
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16620957
1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 33158849
1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
CID 17434709
1,3-dimethyl-6-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38034962
N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32686520
2-methyl-6-phenyl-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27006276
1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51949345
N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55721310
N-(3-piperidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879336
1,3-dimethyl-6-propan-2-yl-N-(1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30864364
2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 42991910
N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 39208017

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 25469310) is 1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c12.
What is the InChIKey of 1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XTAZLLMGXOYOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-14(2)19-13-18(20-15(3)25-26(4)21(20)24-19)22(28)23-16-8-7-9-17(12-16)31(29,30)27-10-5-6-11-27/h7-9,12-14H,5-6,10-11H2,1-4H3,(H,23,28).
What are the key properties of 1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 25469310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).