6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid

C20H15N3O2 — CID 71601937

IUPAC6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)cc2c1cnn2Cc1ccncc1
InChIInChI=1S/C20H15N3O2/c24-20(25)17-10-16(15-4-2-1-3-5-15)11-19-18(17)12-22-23(19)13-14-6-8-21-9-7-14/h1-12H,13H2,(H,24,25)
InChIKeyMSQCCVFBAIIPFQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.84
Rot. Bonds4

About 6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid

6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid (PubChem CID 71601937) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid.

Molecular Properties

Compound Name6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid
PubChem CID71601937
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)cc2c1cnn2Cc1ccncc1
InChIInChI=1S/C20H15N3O2/c24-20(25)17-10-16(15-4-2-1-3-5-15)11-19-18(17)12-22-23(19)13-14-6-8-21-9-7-14/h1-12H,13H2,(H,24,25)
InChIKeyMSQCCVFBAIIPFQ-UHFFFAOYSA-N
XLogP3.84
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,5-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 3164943
2-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-quinolinecarboxylic acid
CID 6485411
4-[7,7,10,10-Tetramethyl-1-(pyridin-3-ylmethyl)-4,5,8,9-tetrahydronaphtho[2,3-g]indazol-3-yl]benzoic acid
CID 10458344
US9682968, Example-25a (+)
CID 90466447
2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485380
8-Methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 3768281
1-Methyl-1H-indole-6-carboxylic acid
CID 19819261
2-(1,3-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485381
Xinidamine
CID 68675
3-(1-Ethyl-1h-Indol-3-Yl)-1-Methyl-1h-Pyrazole-5-Carboxylic Acid
CID 122164592
3-Cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carboxylic acid
CID 514262
1H-Indole-6-carboxylic acid, 3-cyclohexyl-2-(2-pyridinyl)-
CID 514285

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid?
The IUPAC name of 6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid (CID 71601937) is 6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid.
What is the SMILES notation for 6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid?
The canonical SMILES for 6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2)cc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid?
The InChIKey is MSQCCVFBAIIPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-20(25)17-10-16(15-4-2-1-3-5-15)11-19-18(17)12-22-23(19)13-14-6-8-21-9-7-14/h1-12H,13H2,(H,24,25).
What are the key properties of 6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid?
6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid is sourced from PubChem (CID 71601937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).