tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine)

C80H56Cl8N12O8 — CID 139203443

IUPACtetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine)
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/4C15H10Cl2N2O2.2C10H8N2/c4*16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21;2*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h4*1-7H,8H2,(H,20,21);2*1-8H
InChIKeyHNEIIFLZFQKLAN-UHFFFAOYSA-N
MW1597.03 g/mol
LogP20.65
Rot. Bonds14

About tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine)

tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine) (PubChem CID 139203443) has the molecular formula C80H56Cl8N12O8 and a molecular weight of 1597.03 g/mol. Its IUPAC name is tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine).

Molecular Properties

Compound Nametetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine)
PubChem CID139203443
Molecular FormulaC80H56Cl8N12O8
Molecular Weight1597.03 g/mol
Exact Mass1592.19
IUPAC Nametetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine)
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/4C15H10Cl2N2O2.2C10H8N2/c4*16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21;2*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h4*1-7H,8H2,(H,20,21);2*1-8H
InChIKeyHNEIIFLZFQKLAN-UHFFFAOYSA-N
XLogP20.65
TPSA272.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001597.03
LogP ≤ 520.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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Related Compounds

6-[[6-Chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 159920794
Tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate);bis(piperazine-1,4-diium)
CID 139203439
1-[(2,4-Dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide
CID 139203447
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
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
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine;hydrochloride
CID 137380784
2-Chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid
CID 157450781
1-[(2,4-Dichlorophenyl)methyl]indole-3-carboxylic acid;methyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 158517808
6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 158797695
6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
CID 159722559
4-Chloro-3-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]benzoic acid;4-fluoro-3-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]benzoic acid;3-[1-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)pyrazol-4-yl]-2-methylbenzoic acid;3-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-4-methylbenzoic acid
CID 159736900
6-[(6-Chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide
CID 159843861

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine)?
The IUPAC name of tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine) (CID 139203443) is tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine).
What is the SMILES notation for tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine)?
The canonical SMILES for tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine) is O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine)?
The InChIKey is HNEIIFLZFQKLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H10Cl2N2O2.2C10H8N2/c4*16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21;2*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h4*1-7H,8H2,(H,20,21);2*1-8H.
What are the key properties of tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine)?
tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine) has a molecular weight of 1597.03 g/mol, XLogP of 20.65, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine) is sourced from PubChem (CID 139203443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).