N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide

C20H17F3N6O2S — CID 170968685

IUPACN-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1ncc2ccc(C3CC3)c(NS(=O)(=O)c3cnn(-c4cncc(C(F)(F)F)c4)c3)c21
InChIInChI=1S/C20H17F3N6O2S/c1-28-19-13(7-25-28)4-5-17(12-2-3-12)18(19)27-32(30,31)16-10-26-29(11-16)15-6-14(8-24-9-15)20(21,22)23/h4-12,27H,2-3H2,1H3
InChIKeyOQRHZLDPRUNPDR-UHFFFAOYSA-N
MW462.46 g/mol
LogP3.85
Rot. Bonds5

About N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide

N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170968685) 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-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170968685
Molecular FormulaC20H17F3N6O2S
Molecular Weight462.46 g/mol
Exact Mass462.11
IUPAC NameN-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1ncc2ccc(C3CC3)c(NS(=O)(=O)c3cnn(-c4cncc(C(F)(F)F)c4)c3)c21
InChIInChI=1S/C20H17F3N6O2S/c1-28-19-13(7-25-28)4-5-17(12-2-3-12)18(19)27-32(30,31)16-10-26-29(11-16)15-6-14(8-24-9-15)20(21,22)23/h4-12,27H,2-3H2,1H3
InChIKeyOQRHZLDPRUNPDR-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

Analyze N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide with MolForge

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Related Compounds

1-cyclopentyl-N-[(2S)-1-[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 57690900
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 122690767
US11787780, Example 117
CID 163429989
US11787780, Example 13
CID 163518189
US11787780, Example 12
CID 163518190
US11787780, Example 6
CID 163619812
US11787780, Example 124
CID 163625856
US11787780, Example 127
CID 163625857
US11787780, Example 125
CID 163768120
US11787780, Example 128
CID 163768121
US11787780, Example 39
CID 163865683
US11787780, Example 37
CID 164041519

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide (CID 170968685) is N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide is Cn1ncc2ccc(C3CC3)c(NS(=O)(=O)c3cnn(-c4cncc(C(F)(F)F)c4)c3)c21.
What is the InChIKey of N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is OQRHZLDPRUNPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2S/c1-28-19-13(7-25-28)4-5-17(12-2-3-12)18(19)27-32(30,31)16-10-26-29(11-16)15-6-14(8-24-9-15)20(21,22)23/h4-12,27H,2-3H2,1H3.
What are the key properties of N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide?
N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-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-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170968685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).