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

C20H17F3N6O2S — CID 170969157

IUPACN-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1ncc2ccc(C3CC3)c(NS(=O)(=O)c3cnn(-c4ccnc(C(F)(F)F)c4)c3)c21
InChIInChI=1S/C20H17F3N6O2S/c1-28-19-13(9-25-28)4-5-16(12-2-3-12)18(19)27-32(30,31)15-10-26-29(11-15)14-6-7-24-17(8-14)20(21,22)23/h4-12,27H,2-3H2,1H3
InChIKeyFGYZMCDNTJUUSM-UHFFFAOYSA-N
MW462.46 g/mol
LogP3.85
Rot. Bonds5

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

N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170969157) has the molecular formula C20H17F3N6O2S and a molecular weight of 462.46 g/mol. Its IUPAC name is N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170969157
Molecular FormulaC20H17F3N6O2S
Molecular Weight462.46 g/mol
Exact Mass462.11
IUPAC NameN-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1ncc2ccc(C3CC3)c(NS(=O)(=O)c3cnn(-c4ccnc(C(F)(F)F)c4)c3)c21
InChIInChI=1S/C20H17F3N6O2S/c1-28-19-13(9-25-28)4-5-16(12-2-3-12)18(19)27-32(30,31)15-10-26-29(11-15)14-6-7-24-17(8-14)20(21,22)23/h4-12,27H,2-3H2,1H3
InChIKeyFGYZMCDNTJUUSM-UHFFFAOYSA-N
XLogP3.85
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170969003
1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 175679502
1-(4-cyclopropyl-2-pyridinyl)-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969364
CID 170969259
CID 170969259
1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968777
N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 175679500
1-[4-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969092
N-(6-methoxy-1-methylindazol-7-yl)-1-(4-morpholin-4-yl-2-pyridinyl)pyrazole-4-sulfonamide
CID 175679485
1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969442
N-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide
CID 170964650
1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969394
N-(1-methylindazol-7-yl)-1-[4-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 171918646

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (CID 170969157) is N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is Cn1ncc2ccc(C3CC3)c(NS(=O)(=O)c3cnn(-c4ccnc(C(F)(F)F)c4)c3)c21.
What is the InChIKey of N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is FGYZMCDNTJUUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2S/c1-28-19-13(9-25-28)4-5-16(12-2-3-12)18(19)27-32(30,31)15-10-26-29(11-15)14-6-7-24-17(8-14)20(21,22)23/h4-12,27H,2-3H2,1H3.
What are the key properties of N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 462.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170969157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).