N-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide

C19H17F3N6O2S — CID 171463706

IUPACN-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide
SMILESCCc1ccc2cnn(C)c2c1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)nc1
InChIInChI=1S/C19H17F3N6O2S/c1-3-11-4-5-12-9-24-28(2)18(12)17(11)27-31(29,30)13-6-7-14(23-10-13)15-8-16(26-25-15)19(20,21)22/h4-10,27H,3H2,1-2H3,(H,25,26)
InChIKeyNEILBEQGUSLTNO-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.74
Rot. Bonds5

About N-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide

N-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide (PubChem CID 171463706) has the molecular formula C19H17F3N6O2S and a molecular weight of 450.45 g/mol. Its IUPAC name is N-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide
PubChem CID171463706
Molecular FormulaC19H17F3N6O2S
Molecular Weight450.45 g/mol
Exact Mass450.11
IUPAC NameN-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide
SMILESCCc1ccc2cnn(C)c2c1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)nc1
InChIInChI=1S/C19H17F3N6O2S/c1-3-11-4-5-12-9-24-28(2)18(12)17(11)27-31(29,30)13-6-7-14(23-10-13)15-8-16(26-25-15)19(20,21)22/h4-10,27H,3H2,1-2H3,(H,25,26)
InChIKeyNEILBEQGUSLTNO-UHFFFAOYSA-N
XLogP3.74
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-(difluoromethyl)-1H-pyrazol-3-yl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyridine-3-sulfonamide
CID 170964554
6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine
CID 170964638
N-(1,6-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170965119
N-(6-ethyl-1-methylindazol-7-yl)acetamide
CID 167348397
6-(1H-indol-2-yl)-N-(1-methylindazol-7-yl)pyridine-3-sulfonamide
CID 170965133
N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide
CID 170965180
6-[4-(1-hydroxyethyl)pyrazol-1-yl]-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide
CID 170964825
6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane
CID 170964840
6-(2,3-dimethylimidazol-4-yl)-N-(1-methylindazol-7-yl)pyridine-3-sulfonamide
CID 170964849
N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969157
N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170969003
6-(4-chloropyrazol-1-yl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide
CID 170965058

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide (CID 171463706) is N-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide is CCc1ccc2cnn(C)c2c1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)nc1.
What is the InChIKey of N-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide?
The InChIKey is NEILBEQGUSLTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O2S/c1-3-11-4-5-12-9-24-28(2)18(12)17(11)27-31(29,30)13-6-7-14(23-10-13)15-8-16(26-25-15)19(20,21)22/h4-10,27H,3H2,1-2H3,(H,25,26).
What are the key properties of N-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide?
N-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide has a molecular weight of 450.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1-methylindazol-7-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 171463706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).