N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide

C27H23ClF3N7O3S — CID 163215271

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
SMILESCNS(=O)(=O)c1cc(Nc2n[nH]c3cc(-c4cnn(CC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)c4)ccc23)ccc1C
InChIInChI=1S/C27H23ClF3N7O3S/c1-15-3-5-19(11-24(15)42(40,41)32-2)35-26-20-7-4-16(9-23(20)36-37-26)17-12-33-38(13-17)14-25(39)34-18-6-8-22(28)21(10-18)27(29,30)31/h3-13,32H,14H2,1-2H3,(H,34,39)(H2,35,36,37)
InChIKeySOKRNHPDJGXROY-UHFFFAOYSA-N
MW618.04 g/mol
LogP5.70
Rot. Bonds8

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide (PubChem CID 163215271) has the molecular formula C27H23ClF3N7O3S and a molecular weight of 618.04 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
PubChem CID163215271
Molecular FormulaC27H23ClF3N7O3S
Molecular Weight618.04 g/mol
Exact Mass617.12
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
SMILESCNS(=O)(=O)c1cc(Nc2n[nH]c3cc(-c4cnn(CC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)c4)ccc23)ccc1C
InChIInChI=1S/C27H23ClF3N7O3S/c1-15-3-5-19(11-24(15)42(40,41)32-2)35-26-20-7-4-16(9-23(20)36-37-26)17-12-33-38(13-17)14-25(39)34-18-6-8-22(28)21(10-18)27(29,30)31/h3-13,32H,14H2,1-2H3,(H,34,39)(H2,35,36,37)
InChIKeySOKRNHPDJGXROY-UHFFFAOYSA-N
XLogP5.70
TPSA133.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.04
LogP ≤ 55.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215252
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[3-(methylsulfonylmethyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215253
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215255
2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 163215257
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215269
N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 163215276

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide (CID 163215271) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide is CNS(=O)(=O)c1cc(Nc2n[nH]c3cc(-c4cnn(CC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)c4)ccc23)ccc1C.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide?
The InChIKey is SOKRNHPDJGXROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClF3N7O3S/c1-15-3-5-19(11-24(15)42(40,41)32-2)35-26-20-7-4-16(9-23(20)36-37-26)17-12-33-38(13-17)14-25(39)34-18-6-8-22(28)21(10-18)27(29,30)31/h3-13,32H,14H2,1-2H3,(H,34,39)(H2,35,36,37).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide has a molecular weight of 618.04 g/mol, XLogP of 5.70, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 163215271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).