N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide

C23H18ClF3N6O2 — CID 163215276

IUPACN-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Cn1cc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)cn1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C23H18ClF3N6O2/c24-18-6-4-15(8-17(18)23(25,26)27)29-20(34)11-33-10-14(9-28-33)13-3-5-16-19(7-13)31-32-21(16)30-22(35)12-1-2-12/h3-10,12H,1-2,11H2,(H,29,34)(H2,30,31,32,35)
InChIKeyXYHNVPARTPWGNT-UHFFFAOYSA-N
MW502.88 g/mol
LogP5.09
Rot. Bonds6

About N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide

N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide (PubChem CID 163215276) has the molecular formula C23H18ClF3N6O2 and a molecular weight of 502.88 g/mol. Its IUPAC name is N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
PubChem CID163215276
Molecular FormulaC23H18ClF3N6O2
Molecular Weight502.88 g/mol
Exact Mass502.11
IUPAC NameN-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Cn1cc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)cn1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C23H18ClF3N6O2/c24-18-6-4-15(8-17(18)23(25,26)27)29-20(34)11-33-10-14(9-28-33)13-3-5-16-19(7-13)31-32-21(16)30-22(35)12-1-2-12/h3-10,12H,1-2,11H2,(H,29,34)(H2,30,31,32,35)
InChIKeyXYHNVPARTPWGNT-UHFFFAOYSA-N
XLogP5.09
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.88
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-4-[4-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]triazol-1-yl]-N-(2,4-dichlorophenyl)pyrrolidine-2-carboxamide
CID 168291309
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-[6-[3,5-dimethyl-1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 163215254
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-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215256
2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 163215257
2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215264
1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]piperidine-4-carboxamide
CID 163215267
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-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215271
N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 163215272

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide (CID 163215276) is N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide is O=C(Cn1cc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)cn1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The InChIKey is XYHNVPARTPWGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N6O2/c24-18-6-4-15(8-17(18)23(25,26)27)29-20(34)11-33-10-14(9-28-33)13-3-5-16-19(7-13)31-32-21(16)30-22(35)12-1-2-12/h3-10,12H,1-2,11H2,(H,29,34)(H2,30,31,32,35).
What are the key properties of N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide?
N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide has a molecular weight of 502.88 g/mol, XLogP of 5.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 163215276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).