5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid

C26H24N6O4 — CID 174725773

IUPAC5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid
SMILESO=C(NC1CCCCC1)c1cncc(-c2ccc3c(c2)c(C(=O)O)nn3C(=O)Nc2cccnc2)c1
InChIInChI=1S/C26H24N6O4/c33-24(29-19-5-2-1-3-6-19)18-11-17(13-28-14-18)16-8-9-22-21(12-16)23(25(34)35)31-32(22)26(36)30-20-7-4-10-27-15-20/h4,7-15,19H,1-3,5-6H2,(H,29,33)(H,30,36)(H,34,35)
InChIKeyDPQTUALKHWAXPG-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.33
Rot. Bonds5

About 5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid

5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid (PubChem CID 174725773) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid
PubChem CID174725773
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Name5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid
SMILESO=C(NC1CCCCC1)c1cncc(-c2ccc3c(c2)c(C(=O)O)nn3C(=O)Nc2cccnc2)c1
InChIInChI=1S/C26H24N6O4/c33-24(29-19-5-2-1-3-6-19)18-11-17(13-28-14-18)16-8-9-22-21(12-16)23(25(34)35)31-32(22)26(36)30-20-7-4-10-27-15-20/h4,7-15,19H,1-3,5-6H2,(H,29,33)(H,30,36)(H,34,35)
InChIKeyDPQTUALKHWAXPG-UHFFFAOYSA-N
XLogP4.33
TPSA139.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid?
The IUPAC name of 5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid (CID 174725773) is 5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid.
What is the SMILES notation for 5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid?
The canonical SMILES for 5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid is O=C(NC1CCCCC1)c1cncc(-c2ccc3c(c2)c(C(=O)O)nn3C(=O)Nc2cccnc2)c1.
What is the InChIKey of 5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid?
The InChIKey is DPQTUALKHWAXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c33-24(29-19-5-2-1-3-6-19)18-11-17(13-28-14-18)16-8-9-22-21(12-16)23(25(34)35)31-32(22)26(36)30-20-7-4-10-27-15-20/h4,7-15,19H,1-3,5-6H2,(H,29,33)(H,30,36)(H,34,35).
What are the key properties of 5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid?
5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid has a molecular weight of 484.52 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid is sourced from PubChem (CID 174725773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).