1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide

C21H16Cl2N4O3 — CID 139203447

IUPAC1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1.O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C15H10Cl2N2O2.C6H6N2O/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21;7-6(9)5-1-3-8-4-2-5/h1-7H,8H2,(H,20,21);1-4H,(H2,7,9)
InChIKeyXYUJODWTYZEGKO-UHFFFAOYSA-N
MW443.29 g/mol
LogP4.27
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide

1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide (PubChem CID 139203447) has the molecular formula C21H16Cl2N4O3 and a molecular weight of 443.29 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide
PubChem CID139203447
Molecular FormulaC21H16Cl2N4O3
Molecular Weight443.29 g/mol
Exact Mass442.06
IUPAC Name1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1.O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C15H10Cl2N2O2.C6H6N2O/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21;7-6(9)5-1-3-8-4-2-5/h1-7H,8H2,(H,20,21);1-4H,(H2,7,9)
InChIKeyXYUJODWTYZEGKO-UHFFFAOYSA-N
XLogP4.27
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Lonidamine
CID 39562
1-((4-Chlorophenyl)methyl)-1H-indazole-3-carboxylic acid
CID 100493
3-[(E)-2-carboxy-2-pyridin-3-ylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid
CID 10045107
5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-4-ylmethyl-1H-pyrazole-3-carboxylic acid
CID 44311523
5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-3-ylmethyl-1H-pyrazole-3-carboxylic acid
CID 44311665
5-(2'',4''-Dichloro-biphenyl-4-yl)-2-pyridin-4-ylmethyl-2H-pyrazole-3-carboxylic acid
CID 44311687
5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-3-yl-1H-pyrazole-3-carboxylic acid
CID 44311709
3-[(6-Chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoic acid
CID 60151013
6-[(6-Chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151147
6-[(2-Tert-butyl-6-chloropyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151420
6-[[6-Chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 68184172
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid
CID 72950604

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide (CID 139203447) is 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide is NC(=O)c1ccncc1.O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide?
The InChIKey is XYUJODWTYZEGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2.C6H6N2O/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21;7-6(9)5-1-3-8-4-2-5/h1-7H,8H2,(H,20,21);1-4H,(H2,7,9).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide?
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide has a molecular weight of 443.29 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;pyridine-4-carboxamide is sourced from PubChem (CID 139203447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).