1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid

C57H40Cl8N12O6 — CID 91329280

IUPAC1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCc1ncnc2c1c(C(=O)O)nn2Cc1c(Cl)cccc1Cl.Cc1nn(Cc2c(Cl)cccc2Cl)c2ccccc12.O=C(O)c1nn(Cc2c(Cl)cccc2Cl)c2cccnc12.O=C(O)c1nn(Cc2c(Cl)cccc2Cl)c2cnccc12
InChIInChI=1S/C15H12Cl2N2.C14H10Cl2N4O2.2C14H9Cl2N3O2/c1-10-11-5-2-3-8-15(11)19(18-10)9-12-13(16)6-4-7-14(12)17;1-7-11-12(14(21)22)19-20(13(11)18-6-17-7)5-8-9(15)3-2-4-10(8)16;15-9-3-1-4-10(16)8(9)7-19-11-5-2-6-17-12(11)13(18-19)14(20)21;15-10-2-1-3-11(16)9(10)7-19-12-6-17-5-4-8(12)13(18-19)14(20)21/h2-8H,9H2,1H3;2-4,6H,5H2,1H3,(H,21,22);2*1-6H,7H2,(H,20,21)
InChIKeyGECPCPFRTKNWAP-UHFFFAOYSA-N
MW1272.65 g/mol
LogP14.86
Rot. Bonds11

About 1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid

1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 91329280) has the molecular formula C57H40Cl8N12O6 and a molecular weight of 1272.65 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID91329280
Molecular FormulaC57H40Cl8N12O6
Molecular Weight1272.65 g/mol
Exact Mass1268.07
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCc1ncnc2c1c(C(=O)O)nn2Cc1c(Cl)cccc1Cl.Cc1nn(Cc2c(Cl)cccc2Cl)c2ccccc12.O=C(O)c1nn(Cc2c(Cl)cccc2Cl)c2cccnc12.O=C(O)c1nn(Cc2c(Cl)cccc2Cl)c2cnccc12
InChIInChI=1S/C15H12Cl2N2.C14H10Cl2N4O2.2C14H9Cl2N3O2/c1-10-11-5-2-3-8-15(11)19(18-10)9-12-13(16)6-4-7-14(12)17;1-7-11-12(14(21)22)19-20(13(11)18-6-17-7)5-8-9(15)3-2-4-10(8)16;15-9-3-1-4-10(16)8(9)7-19-11-5-2-6-17-12(11)13(18-19)14(20)21;15-10-2-1-3-11(16)9(10)7-19-12-6-17-5-4-8(12)13(18-19)14(20)21/h2-8H,9H2,1H3;2-4,6H,5H2,1H3,(H,21,22);2*1-6H,7H2,(H,20,21)
InChIKeyGECPCPFRTKNWAP-UHFFFAOYSA-N
XLogP14.86
TPSA234.74 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001272.65
LogP ≤ 514.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

Tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine)
CID 139203443
1-[(2,6-dichlorophenyl)methyl]-N-(methylideneamino)indazole-3-carboxamide;1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 90963431
1-[(2,6-dichlorophenyl)methyl]-N-(methylideneamino)indazole-3-carboxamide;(E)-3-[1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidin-3-yl]prop-2-enoic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 91052279
(Rac)-1-(6-chloro-imidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methyl-1h-indazol-5-yl)-ethanol (6-chloro-imidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methyl-1h-indazol-5-yl)-methanone
CID 131731819
(6-Chloro-imidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methyl-1H-indazol-5-yl)-methanone (rac)-(6-Chloro-imidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methyl-1H-indazol-5-yl)-methanol
CID 131731820
1-[1-(2,4-Dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylic acid
CID 134324898
1-[1-(2,4-Dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylic acid
CID 134325077
3-[1-[4-[1-[2-[5-(2-Carboxyethyl)-1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-3-yl]-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]propanoic acid
CID 134341463
1-[1-(2,4-Dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylic acid;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate
CID 157438853
1-[1-(2,4-Dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylic acid;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate
CID 158955556
1-[1-(2,4-Dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylic acid;hydrochloride
CID 159363653
1-[1-(2,4-Dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate
CID 159771939

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 91329280) is 1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid is Cc1ncnc2c1c(C(=O)O)nn2Cc1c(Cl)cccc1Cl.Cc1nn(Cc2c(Cl)cccc2Cl)c2ccccc12.O=C(O)c1nn(Cc2c(Cl)cccc2Cl)c2cccnc12.O=C(O)c1nn(Cc2c(Cl)cccc2Cl)c2cnccc12.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is GECPCPFRTKNWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2.C14H10Cl2N4O2.2C14H9Cl2N3O2/c1-10-11-5-2-3-8-15(11)19(18-10)9-12-13(16)6-4-7-14(12)17;1-7-11-12(14(21)22)19-20(13(11)18-6-17-7)5-8-9(15)3-2-4-10(8)16;15-9-3-1-4-10(16)8(9)7-19-11-5-2-6-17-12(11)13(18-19)14(20)21;15-10-2-1-3-11(16)9(10)7-19-12-6-17-5-4-8(12)13(18-19)14(20)21/h2-8H,9H2,1H3;2-4,6H,5H2,1H3,(H,21,22);2*1-6H,7H2,(H,20,21).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid?
1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 1272.65 g/mol, XLogP of 14.86, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 91329280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).