1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide

C21H19N5O3S — CID 171922061

IUPAC1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCn1ncc2c(-c3ccc(S(C)(=O)=O)cc3)cc(C(=O)NCc3cccnc3)nc21
InChIInChI=1S/C21H19N5O3S/c1-26-20-18(13-24-26)17(15-5-7-16(8-6-15)30(2,28)29)10-19(25-20)21(27)23-12-14-4-3-9-22-11-14/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyUCYRWYBUTZFWHO-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.36
Rot. Bonds5

About 1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide

1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 171922061) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID171922061
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCn1ncc2c(-c3ccc(S(C)(=O)=O)cc3)cc(C(=O)NCc3cccnc3)nc21
InChIInChI=1S/C21H19N5O3S/c1-26-20-18(13-24-26)17(15-5-7-16(8-6-15)30(2,28)29)10-19(25-20)21(27)23-12-14-4-3-9-22-11-14/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyUCYRWYBUTZFWHO-UHFFFAOYSA-N
XLogP2.36
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800095
5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 171352839
5-(3,4-difluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42879103
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109360410
6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 54927031
2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371117
1-[4-(1-methylindazol-5-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66614235
[7-methyl-5-(4-methylsulfonylphenyl)-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 59608082

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide (CID 171922061) is 1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide is Cn1ncc2c(-c3ccc(S(C)(=O)=O)cc3)cc(C(=O)NCc3cccnc3)nc21.
What is the InChIKey of 1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is UCYRWYBUTZFWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-26-20-18(13-24-26)17(15-5-7-16(8-6-15)30(2,28)29)10-19(25-20)21(27)23-12-14-4-3-9-22-11-14/h3-11,13H,12H2,1-2H3,(H,23,27).
What are the key properties of 1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide?
1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 171922061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).