N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide

C27H16F9N9O5S2 — CID 170969478

IUPACN-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide
SMILESCn1ncc2ccc(OC(F)(F)F)c(N(S(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)S(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21
InChIInChI=1S/C27H16F9N9O5S2/c1-42-23-15(10-39-42)2-3-20(50-27(34,35)36)24(23)45(51(46,47)18-11-40-43(13-18)21-8-16(4-6-37-21)25(28,29)30)52(48,49)19-12-41-44(14-19)22-9-17(5-7-38-22)26(31,32)33/h2-14H,1H3
InChIKeyVEQJWKKKASYVOS-UHFFFAOYSA-N
MW781.60 g/mol
LogP5.26
Rot. Bonds8

About N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide

N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide (PubChem CID 170969478) has the molecular formula C27H16F9N9O5S2 and a molecular weight of 781.60 g/mol. Its IUPAC name is N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide
PubChem CID170969478
Molecular FormulaC27H16F9N9O5S2
Molecular Weight781.60 g/mol
Exact Mass781.06
IUPAC NameN-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide
SMILESCn1ncc2ccc(OC(F)(F)F)c(N(S(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)S(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21
InChIInChI=1S/C27H16F9N9O5S2/c1-42-23-15(10-39-42)2-3-20(50-27(34,35)36)24(23)45(51(46,47)18-11-40-43(13-18)21-8-16(4-6-37-21)25(28,29)30)52(48,49)19-12-41-44(14-19)22-9-17(5-7-38-22)26(31,32)33/h2-14H,1H3
InChIKeyVEQJWKKKASYVOS-UHFFFAOYSA-N
XLogP5.26
TPSA159.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500781.60
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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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-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide
CID 170969467
N-(6-methoxy-1-methylindazol-7-yl)-3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968701
1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968677
N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 171467952
1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918643
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-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 175679502
1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918638
1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969394
N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 175679500

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide (CID 170969478) is N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide is Cn1ncc2ccc(OC(F)(F)F)c(N(S(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)S(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21.
What is the InChIKey of N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide?
The InChIKey is VEQJWKKKASYVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F9N9O5S2/c1-42-23-15(10-39-42)2-3-20(50-27(34,35)36)24(23)45(51(46,47)18-11-40-43(13-18)21-8-16(4-6-37-21)25(28,29)30)52(48,49)19-12-41-44(14-19)22-9-17(5-7-38-22)26(31,32)33/h2-14H,1H3.
What are the key properties of N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide?
N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide has a molecular weight of 781.60 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide is sourced from PubChem (CID 170969478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).