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

C60H42Cl8N14O7 — CID 91052279

IUPAC1-[(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
SMILESC=NNC(=O)c1nn(Cc2c(Cl)cccc2Cl)c2ccccc12.Cc1ncnc2c1c(/C=C/C(=O)O)nn2Cc1c(Cl)cccc1Cl.O=C(O)c1nn(Cc2c(Cl)cccc2Cl)c2ccncc12.O=C(O)c1nn(Cc2c(Cl)cccc2Cl)c2ncccc12
InChIInChI=1S/C16H12Cl2N4O2.C16H12Cl2N4O.2C14H9Cl2N3O2/c1-9-15-13(5-6-14(23)24)21-22(16(15)20-8-19-9)7-10-11(17)3-2-4-12(10)18;1-19-20-16(23)15-10-5-2-3-8-14(10)22(21-15)9-11-12(17)6-4-7-13(11)18;15-10-4-1-5-11(16)9(10)7-19-13-8(3-2-6-17-13)12(18-19)14(20)21;15-10-2-1-3-11(16)9(10)7-19-12-4-5-17-6-8(12)13(18-19)14(20)21/h2-6,8H,7H2,1H3,(H,23,24);2-8H,1,9H2,(H,20,23);2*1-6H,7H2,(H,20,21)/b6-5+;;;
InChIKeyDRSGGTCRGZYNQP-FWMLTEASSA-N
MW1354.71 g/mol
LogP14.29
Rot. Bonds14

About 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

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 (PubChem CID 91052279) has the molecular formula C60H42Cl8N14O7 and a molecular weight of 1354.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID91052279
Molecular FormulaC60H42Cl8N14O7
Molecular Weight1354.71 g/mol
Exact Mass1350.09
IUPAC Name1-[(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
SMILESC=NNC(=O)c1nn(Cc2c(Cl)cccc2Cl)c2ccccc12.Cc1ncnc2c1c(/C=C/C(=O)O)nn2Cc1c(Cl)cccc1Cl.O=C(O)c1nn(Cc2c(Cl)cccc2Cl)c2ccncc12.O=C(O)c1nn(Cc2c(Cl)cccc2Cl)c2ncccc12
InChIInChI=1S/C16H12Cl2N4O2.C16H12Cl2N4O.2C14H9Cl2N3O2/c1-9-15-13(5-6-14(23)24)21-22(16(15)20-8-19-9)7-10-11(17)3-2-4-12(10)18;1-19-20-16(23)15-10-5-2-3-8-14(10)22(21-15)9-11-12(17)6-4-7-13(11)18;15-10-4-1-5-11(16)9(10)7-19-13-8(3-2-6-17-13)12(18-19)14(20)21;15-10-2-1-3-11(16)9(10)7-19-12-4-5-17-6-8(12)13(18-19)14(20)21/h2-6,8H,7H2,1H3,(H,23,24);2-8H,1,9H2,(H,20,23);2*1-6H,7H2,(H,20,21)/b6-5+;;;
InChIKeyDRSGGTCRGZYNQP-FWMLTEASSA-N
XLogP14.29
TPSA276.20 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001354.71
LogP ≤ 514.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,4-Dichlorophenyl)methyl]indazole-3-carboxylic acid;bis(pyrimidin-2-amine)
CID 139203442
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]-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
3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide;3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-cyclohexylaniline
CID 158320281
1-(6-Chloropyrimidin-4-yl)indazole-3-carboxamide;1-(6-chloropyrimidin-4-yl)indazole-3-carboxylic acid;methane
CID 160178260
(2S)-1-[5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride
CID 160254709
Bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid)
CID 162033624
3-[(3-acetyl-4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-phenylisoquinolin-1-one;3-[[4-amino-3-(2-hydroxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-phenylisoquinolin-1-one;3-[(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-phenylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-chloro-2-(2-methylphenyl)isoquinolin-1-one
CID 167541021

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=NNC(=O)c1nn(Cc2c(Cl)cccc2Cl)c2ccccc12.Cc1ncnc2c1c(/C=C/C(=O)O)nn2Cc1c(Cl)cccc1Cl.O=C(O)c1nn(Cc2c(Cl)cccc2Cl)c2ccncc12.O=C(O)c1nn(Cc2c(Cl)cccc2Cl)c2ncccc12.
What is the InChIKey of 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?
The InChIKey is DRSGGTCRGZYNQP-FWMLTEASSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2.C16H12Cl2N4O.2C14H9Cl2N3O2/c1-9-15-13(5-6-14(23)24)21-22(16(15)20-8-19-9)7-10-11(17)3-2-4-12(10)18;1-19-20-16(23)15-10-5-2-3-8-14(10)22(21-15)9-11-12(17)6-4-7-13(11)18;15-10-4-1-5-11(16)9(10)7-19-13-8(3-2-6-17-13)12(18-19)14(20)21;15-10-2-1-3-11(16)9(10)7-19-12-4-5-17-6-8(12)13(18-19)14(20)21/h2-6,8H,7H2,1H3,(H,23,24);2-8H,1,9H2,(H,20,23);2*1-6H,7H2,(H,20,21)/b6-5+;;;.
What are the key properties of 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?
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 has a molecular weight of 1354.71 g/mol, XLogP of 14.29, 14 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91052279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).