1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide

C19H17N5O3S — CID 165415024

IUPAC1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
SMILESCn1ncc(S(C)(=O)=O)c1C(=O)Nc1ccc2cc(-c3ccccc3)nn2c1
InChIInChI=1S/C19H17N5O3S/c1-23-18(17(11-20-23)28(2,26)27)19(25)21-14-8-9-15-10-16(22-24(15)12-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,25)
InChIKeyDBTKBEFTJZOKCL-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.39
Rot. Bonds4

About 1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide

1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide (PubChem CID 165415024) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
PubChem CID165415024
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
SMILESCn1ncc(S(C)(=O)=O)c1C(=O)Nc1ccc2cc(-c3ccccc3)nn2c1
InChIInChI=1S/C19H17N5O3S/c1-23-18(17(11-20-23)28(2,26)27)19(25)21-14-8-9-15-10-16(22-24(15)12-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,25)
InChIKeyDBTKBEFTJZOKCL-UHFFFAOYSA-N
XLogP2.39
TPSA98.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide (CID 165415024) is 1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide is Cn1ncc(S(C)(=O)=O)c1C(=O)Nc1ccc2cc(-c3ccccc3)nn2c1.
What is the InChIKey of 1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide?
The InChIKey is DBTKBEFTJZOKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-23-18(17(11-20-23)28(2,26)27)19(25)21-14-8-9-15-10-16(22-24(15)12-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,25).
What are the key properties of 1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide?
1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 165415024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).