1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide

C18H16F2N6O3S — CID 170968904

IUPAC1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C(F)F)ccn2)c1
InChIInChI=1S/C18H16F2N6O3S/c1-25-17-12(8-22-25)3-4-14(29-2)16(17)24-30(27,28)13-9-23-26(10-13)15-7-11(18(19)20)5-6-21-15/h3-10,18,24H,1-2H3
InChIKeyUEOYKILNCVTNHD-UHFFFAOYSA-N
MW434.43 g/mol
LogP2.90
Rot. Bonds6

About 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide

1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 170968904) has the molecular formula C18H16F2N6O3S and a molecular weight of 434.43 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
PubChem CID170968904
Molecular FormulaC18H16F2N6O3S
Molecular Weight434.43 g/mol
Exact Mass434.10
IUPAC Name1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C(F)F)ccn2)c1
InChIInChI=1S/C18H16F2N6O3S/c1-25-17-12(8-22-25)3-4-14(29-2)16(17)24-30(27,28)13-9-23-26(10-13)15-7-11(18(19)20)5-6-21-15/h3-10,18,24H,1-2H3
InChIKeyUEOYKILNCVTNHD-UHFFFAOYSA-N
XLogP2.90
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-fluoro-N-(2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl)benzenesulfonamide
CID 16886292
N-(3-{[3-(difluoromethoxy)phenyl]amino}quinoxalin-2-yl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 86267025
N-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1-methylimidazole-4-sulfonamide
CID 172434845
N-(6-methoxy-1-methylindazol-7-yl)-3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968701
1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968733
N-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide
CID 170968752
1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968850
1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide
CID 170968851
N-(6-methoxy-1-methylindazol-7-yl)-5-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968855
N-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968859
N-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968870
1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide
CID 170968891

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide (CID 170968904) is 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide is COc1ccc2cnn(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-methylindazol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is UEOYKILNCVTNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O3S/c1-25-17-12(8-22-25)3-4-14(29-2)16(17)24-30(27,28)13-9-23-26(10-13)15-7-11(18(19)20)5-6-21-15/h3-10,18,24H,1-2H3.
What are the key properties of 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 434.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170968904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).