N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide

C40H29ClF6N8O2 — CID 159068562

IUPACN-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc2cc(-c3cc(Cl)ccc3C(F)(F)F)[nH]c2c1.Cn1nccc1C(=O)Nc1ccc2cc(-c3cc(F)ccc3C(F)F)[nH]c2c1
InChIInChI=1S/C20H14ClF3N4O.C20H15F3N4O/c1-28-18(6-7-25-28)19(29)26-13-4-2-11-8-17(27-16(11)10-13)14-9-12(21)3-5-15(14)20(22,23)24;1-27-18(6-7-24-27)20(28)25-13-4-2-11-8-17(26-16(11)10-13)15-9-12(21)3-5-14(15)19(22)23/h2-10,27H,1H3,(H,26,29);2-10,19,26H,1H3,(H,25,28)
InChIKeyJZIXSMLZACYRFB-UHFFFAOYSA-N
MW803.17 g/mol
LogP10.39
Rot. Bonds7

About N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide

N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 159068562) has the molecular formula C40H29ClF6N8O2 and a molecular weight of 803.17 g/mol. Its IUPAC name is N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide
PubChem CID159068562
Molecular FormulaC40H29ClF6N8O2
Molecular Weight803.17 g/mol
Exact Mass802.20
IUPAC NameN-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc2cc(-c3cc(Cl)ccc3C(F)(F)F)[nH]c2c1.Cn1nccc1C(=O)Nc1ccc2cc(-c3cc(F)ccc3C(F)F)[nH]c2c1
InChIInChI=1S/C20H14ClF3N4O.C20H15F3N4O/c1-28-18(6-7-25-28)19(29)26-13-4-2-11-8-17(27-16(11)10-13)14-9-12(21)3-5-15(14)20(22,23)24;1-27-18(6-7-24-27)20(28)25-13-4-2-11-8-17(26-16(11)10-13)15-9-12(21)3-5-14(15)19(22)23/h2-10,27H,1H3,(H,26,29);2-10,19,26H,1H3,(H,25,28)
InChIKeyJZIXSMLZACYRFB-UHFFFAOYSA-N
XLogP10.39
TPSA125.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.17
LogP ≤ 510.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 71585683
US10807952, Cmp No. 90
CID 135221677
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide
CID 46334601
4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide
CID 44540060
1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334351
5-chloro-N-[2-[3-[3-[1-[4-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]pyrazol-1-yl]-3-fluorophenyl]propan-2-yl]-2-methylphenyl]pyrrolidin-1-yl]ethyl]-1H-indole-2-carboxamide
CID 123895700
5-[1-[difluoro-[3-[5-[(3-fluorophenyl)carbamoyl]-1H-pyrrol-3-yl]-1H-indazol-5-yl]methyl]-5-(trifluoromethyl)indazol-3-yl]-N-(3-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 136022509
[6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)pyrazol-5-yl]-1H-indol-2-yl]-[(3S)-3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone
CID 136385346
[6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)pyrazol-5-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone
CID 136385347
[6-chloro-3-[4-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrazol-5-yl]-1H-indol-2-yl]-[(3S)-3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone
CID 136385351
[6-chloro-3-[4-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrazol-5-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone
CID 136385352
[6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)pyrazol-5-yl]-1H-indol-2-yl]-[(3R)-3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone
CID 136417215

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide (CID 159068562) is N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc2cc(-c3cc(Cl)ccc3C(F)(F)F)[nH]c2c1.Cn1nccc1C(=O)Nc1ccc2cc(-c3cc(F)ccc3C(F)F)[nH]c2c1.
What is the InChIKey of N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is JZIXSMLZACYRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O.C20H15F3N4O/c1-28-18(6-7-25-28)19(29)26-13-4-2-11-8-17(27-16(11)10-13)14-9-12(21)3-5-15(14)20(22,23)24;1-27-18(6-7-24-27)20(28)25-13-4-2-11-8-17(26-16(11)10-13)15-9-12(21)3-5-14(15)19(22)23/h2-10,27H,1H3,(H,26,29);2-10,19,26H,1H3,(H,25,28).
What are the key properties of N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide?
N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 803.17 g/mol, XLogP of 10.39, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 159068562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).