4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole

C74H76Cl2F15N17O7 — CID 158916502

IUPAC4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole
SMILESC.CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)c1c[nH]c2ccc(C(F)(F)F)cc12.CN1CCN(c2nc3ccc(C(F)(F)F)cc3c3cn(C)nc23)CC1.CN1CCNCC1.CNN.Cn1cc2c(n1)c(=O)[nH]c1ccc(C(F)(F)F)cc12.Cn1cc2c(n1)c(Cl)nc1ccc(C(F)(F)F)cc12.FC(F)(F)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H18F3N5.C13H10F3NO3.C12H7ClF3N3.C12H8F3N3O.C9H6F3N.C5H12N2.C4H5ClO3.CH6N2.CH4/c1-23-5-7-25(8-6-23)16-15-13(10-24(2)22-15)12-9-11(17(18,19)20)3-4-14(12)21-16;1-2-20-12(19)11(18)9-6-17-10-4-3-7(5-8(9)10)13(14,15)16;1-19-5-8-7-4-6(12(14,15)16)2-3-9(7)17-11(13)10(8)18-19;1-18-5-8-7-4-6(12(13,14)15)2-3-9(7)16-11(19)10(8)17-18;10-9(11,12)7-1-2-8-6(5-7)3-4-13-8;1-7-4-2-6-3-5-7;1-2-8-4(7)3(5)6;1-3-2;/h3-4,9-10H,5-8H2,1-2H3;3-6,17H,2H2,1H3;2-5H,1H3;2-5H,1H3,(H,16,19);1-5,13H;6H,2-5H2,1H3;2H2,1H3;3H,2H2,1H3;1H4
InChIKeyJHHHDQNRVKAZJT-UHFFFAOYSA-N
MW1671.41 g/mol
LogP14.79
Rot. Bonds6

About 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole

4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole (PubChem CID 158916502) has the molecular formula C74H76Cl2F15N17O7 and a molecular weight of 1671.41 g/mol. Its IUPAC name is 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole
PubChem CID158916502
Molecular FormulaC74H76Cl2F15N17O7
Molecular Weight1671.41 g/mol
Exact Mass1669.53
IUPAC Name4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole
SMILESC.CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)c1c[nH]c2ccc(C(F)(F)F)cc12.CN1CCN(c2nc3ccc(C(F)(F)F)cc3c3cn(C)nc23)CC1.CN1CCNCC1.CNN.Cn1cc2c(n1)c(=O)[nH]c1ccc(C(F)(F)F)cc12.Cn1cc2c(n1)c(Cl)nc1ccc(C(F)(F)F)cc12.FC(F)(F)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H18F3N5.C13H10F3NO3.C12H7ClF3N3.C12H8F3N3O.C9H6F3N.C5H12N2.C4H5ClO3.CH6N2.CH4/c1-23-5-7-25(8-6-23)16-15-13(10-24(2)22-15)12-9-11(17(18,19)20)3-4-14(12)21-16;1-2-20-12(19)11(18)9-6-17-10-4-3-7(5-8(9)10)13(14,15)16;1-19-5-8-7-4-6(12(14,15)16)2-3-9(7)17-11(13)10(8)18-19;1-18-5-8-7-4-6(12(13,14)15)2-3-9(7)16-11(19)10(8)17-18;10-9(11,12)7-1-2-8-6(5-7)3-4-13-8;1-7-4-2-6-3-5-7;1-2-8-4(7)3(5)6;1-3-2;/h3-4,9-10H,5-8H2,1-2H3;3-6,17H,2H2,1H3;2-5H,1H3;2-5H,1H3,(H,16,19);1-5,13H;6H,2-5H2,1H3;2H2,1H3;3H,2H2,1H3;1H4
InChIKeyJHHHDQNRVKAZJT-UHFFFAOYSA-N
XLogP14.79
TPSA290.22 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds6
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001671.41
LogP ≤ 514.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole with MolForge

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Related Compounds

5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethoxyethane
CID 157154090
sodium;tert-butyl 4-[1-(2-morpholin-4-ylethyl)-3-phenylpyrazol-4-yl]piperazine-1-carboxylate;tert-butyl 4-(5-phenyl-1H-pyrazol-4-yl)piperazine-1-carboxylate;4-(2-chloroethyl)morpholine;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-[1-(2-morpholin-4-ylethyl)-3-phenylpyrazol-4-yl]piperazin-1-yl]ethane-1,2-dione;2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;hydride;4-[2-(3-phenyl-4-piperazin-1-ylpyrazol-1-yl)ethyl]morpholine;2,2,2-trifluoroacetaldehyde
CID 161498019
4-chloro-2,8-dimethylpyrazolo[3,4-c]quinoline;2,8-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2,8-dimethyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-chloro-2-oxoacetate;ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate;methylhydrazine;5-methyl-1H-indole;1-methylpiperazine
CID 158127574
5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methane;methylhydrazine;1-methylpiperazine
CID 158496237
5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine
CID 160613655
5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride
CID 160675402
tert-butyl N-[[4-[(4-amino-2-butylpyrazolo[3,4-c]quinolin-1-yl)-hydroxymethyl]phenyl]methyl]carbamate;2-butyl-4-chloropyrazolo[3,4-c]quinoline;tert-butyl N-[(4-formylphenyl)methyl]carbamate;butylhydrazine;2-butylpyrazolo[3,4-c]quinolin-4-amine;2-butyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-(1H-indol-3-yl)-2-oxoacetate;oxalic acid
CID 167552098
(4-amino-2-methylpyrazolo[3,4-c]quinolin-1-yl)-(4-ethylphenyl)methanol;4-chloro-2-methylpyrazolo[3,4-c]quinoline;ethane;4-ethylbenzaldehyde;ethyl 2-(1H-indol-3-yl)-2-oxoacetate;methylhydrazine;2-methylpyrazolo[3,4-c]quinolin-4-amine;2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;oxalic acid
CID 167665180

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole?
The IUPAC name of 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole (CID 158916502) is 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole?
The canonical SMILES for 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole is C.CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)c1c[nH]c2ccc(C(F)(F)F)cc12.CN1CCN(c2nc3ccc(C(F)(F)F)cc3c3cn(C)nc23)CC1.CN1CCNCC1.CNN.Cn1cc2c(n1)c(=O)[nH]c1ccc(C(F)(F)F)cc12.Cn1cc2c(n1)c(Cl)nc1ccc(C(F)(F)F)cc12.FC(F)(F)c1ccc2[nH]ccc2c1.
What is the InChIKey of 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole?
The InChIKey is JHHHDQNRVKAZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5.C13H10F3NO3.C12H7ClF3N3.C12H8F3N3O.C9H6F3N.C5H12N2.C4H5ClO3.CH6N2.CH4/c1-23-5-7-25(8-6-23)16-15-13(10-24(2)22-15)12-9-11(17(18,19)20)3-4-14(12)21-16;1-2-20-12(19)11(18)9-6-17-10-4-3-7(5-8(9)10)13(14,15)16;1-19-5-8-7-4-6(12(14,15)16)2-3-9(7)17-11(13)10(8)18-19;1-18-5-8-7-4-6(12(13,14)15)2-3-9(7)16-11(19)10(8)17-18;10-9(11,12)7-1-2-8-6(5-7)3-4-13-8;1-7-4-2-6-3-5-7;1-2-8-4(7)3(5)6;1-3-2;/h3-4,9-10H,5-8H2,1-2H3;3-6,17H,2H2,1H3;2-5H,1H3;2-5H,1H3,(H,16,19);1-5,13H;6H,2-5H2,1H3;2H2,1H3;3H,2H2,1H3;1H4.
What are the key properties of 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole?
4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole has a molecular weight of 1671.41 g/mol, XLogP of 14.79, 6 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 158916502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).