1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide

C17H15F2N7O3S — CID 170968891

IUPAC1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide
SMILESCOc1ncc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C(F)F)ccn2)c1
InChIInChI=1S/C17H15F2N7O3S/c1-25-15-11(7-22-25)6-21-17(29-2)14(15)24-30(27,28)12-8-23-26(9-12)13-5-10(16(18)19)3-4-20-13/h3-9,16,24H,1-2H3
InChIKeyXMMVXZNWVKCPTJ-UHFFFAOYSA-N
MW435.42 g/mol
LogP2.30
Rot. Bonds6

About 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide

1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide (PubChem CID 170968891) has the molecular formula C17H15F2N7O3S and a molecular weight of 435.42 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide
PubChem CID170968891
Molecular FormulaC17H15F2N7O3S
Molecular Weight435.42 g/mol
Exact Mass435.09
IUPAC Name1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide
SMILESCOc1ncc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C(F)F)ccn2)c1
InChIInChI=1S/C17H15F2N7O3S/c1-25-15-11(7-22-25)6-21-17(29-2)14(15)24-30(27,28)12-8-23-26(9-12)13-5-10(16(18)19)3-4-20-13/h3-9,16,24H,1-2H3
InChIKeyXMMVXZNWVKCPTJ-UHFFFAOYSA-N
XLogP2.30
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide (CID 170968891) is 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide is COc1ncc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C(F)F)ccn2)c1.
What is the InChIKey of 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide?
The InChIKey is XMMVXZNWVKCPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N7O3S/c1-25-15-11(7-22-25)6-21-17(29-2)14(15)24-30(27,28)12-8-23-26(9-12)13-5-10(16(18)19)3-4-20-13/h3-9,16,24H,1-2H3.
What are the key properties of 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide?
1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide has a molecular weight of 435.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170968891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).