N-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide

C20H21F3N6O2S2 — CID 176751958

IUPACN-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide
SMILESCC1CC(c2cc(S(=O)(=O)NC3(C)CC3)cc3c2cnn3-c2nnc(C(F)(F)F)s2)=CCN1
InChIInChI=1S/C20H21F3N6O2S2/c1-11-7-12(3-6-24-11)14-8-13(33(30,31)28-19(2)4-5-19)9-16-15(14)10-25-29(16)18-27-26-17(32-18)20(21,22)23/h3,8-11,24,28H,4-7H2,1-2H3
InChIKeyBGHXRMCYBWMZDX-UHFFFAOYSA-N
MW498.56 g/mol
LogP3.49
Rot. Bonds5

About N-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide

N-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide (PubChem CID 176751958) has the molecular formula C20H21F3N6O2S2 and a molecular weight of 498.56 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide
PubChem CID176751958
Molecular FormulaC20H21F3N6O2S2
Molecular Weight498.56 g/mol
Exact Mass498.11
IUPAC NameN-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide
SMILESCC1CC(c2cc(S(=O)(=O)NC3(C)CC3)cc3c2cnn3-c2nnc(C(F)(F)F)s2)=CCN1
InChIInChI=1S/C20H21F3N6O2S2/c1-11-7-12(3-6-24-11)14-8-13(33(30,31)28-19(2)4-5-19)9-16-15(14)10-25-29(16)18-27-26-17(32-18)20(21,22)23/h3,8-11,24,28H,4-7H2,1-2H3
InChIKeyBGHXRMCYBWMZDX-UHFFFAOYSA-N
XLogP3.49
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide (CID 176751958) is N-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide is CC1CC(c2cc(S(=O)(=O)NC3(C)CC3)cc3c2cnn3-c2nnc(C(F)(F)F)s2)=CCN1.
What is the InChIKey of N-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide?
The InChIKey is BGHXRMCYBWMZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2S2/c1-11-7-12(3-6-24-11)14-8-13(33(30,31)28-19(2)4-5-19)9-16-15(14)10-25-29(16)18-27-26-17(32-18)20(21,22)23/h3,8-11,24,28H,4-7H2,1-2H3.
What are the key properties of N-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide?
N-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide has a molecular weight of 498.56 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide is sourced from PubChem (CID 176751958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).