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

C18H17F2N7O3S — CID 170968851

IUPAC1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide
SMILESCOc1ncc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C(C)(F)F)ccn2)c1
InChIInChI=1S/C18H17F2N7O3S/c1-18(19,20)12-4-5-21-14(6-12)27-10-13(9-24-27)31(28,29)25-15-16-11(8-23-26(16)2)7-22-17(15)30-3/h4-10,25H,1-3H3
InChIKeyKQNKBLRMAZNMSX-UHFFFAOYSA-N
MW449.44 g/mol
LogP2.47
Rot. Bonds6

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

1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide (PubChem CID 170968851) has the molecular formula C18H17F2N7O3S and a molecular weight of 449.44 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide
PubChem CID170968851
Molecular FormulaC18H17F2N7O3S
Molecular Weight449.44 g/mol
Exact Mass449.11
IUPAC Name1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide
SMILESCOc1ncc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C(C)(F)F)ccn2)c1
InChIInChI=1S/C18H17F2N7O3S/c1-18(19,20)12-4-5-21-14(6-12)27-10-13(9-24-27)31(28,29)25-15-16-11(8-23-26(16)2)7-22-17(15)30-3/h4-10,25H,1-3H3
InChIKeyKQNKBLRMAZNMSX-UHFFFAOYSA-N
XLogP2.47
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide (CID 170968851) is 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(1,1-difluoroethyl)-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(C)(F)F)ccn2)c1.
What is the InChIKey of 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide?
The InChIKey is KQNKBLRMAZNMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7O3S/c1-18(19,20)12-4-5-21-14(6-12)27-10-13(9-24-27)31(28,29)25-15-16-11(8-23-26(16)2)7-22-17(15)30-3/h4-10,25H,1-3H3.
What are the key properties of 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide?
1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide has a molecular weight of 449.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170968851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).