6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid

C24H18ClN5O5 — CID 118877858

About 6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid

6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid (PubChem CID 118877858) has the molecular formula C24H18ClN5O5 and a molecular weight of 491.89 g/mol. Its IUPAC name is 6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid
• PubChem CID: 118877858
• Molecular Formula: C24H18ClN5O5
• Molecular Weight: 491.89 g/mol
• Exact Mass: 491.10
• IUPAC Name: 6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid
• SMILES: CC(C(=O)Nc1ccc2c(=O)n(C)n(C(=O)O)c2c1)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O
• InChI: InChI=1S/C24H18ClN5O5/c1-13(29-8-7-14(9-21(29)31)19-10-16(25)4-3-15(19)12-26)22(32)27-17-5-6-18-20(11-17)30(24(34)35)28(2)23(18)33/h3-11,13H,1-2H3,(H,27,32)(H,34,35)
• InChIKey: PJYMZOKGMBASSL-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 139.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.89
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid?

The IUPAC name of 6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid (CID 118877858) is 6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid.

What is the SMILES notation for 6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid?

The canonical SMILES for 6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid is CC(C(=O)Nc1ccc2c(=O)n(C)n(C(=O)O)c2c1)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O.

What is the InChIKey of 6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid?

The InChIKey is PJYMZOKGMBASSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O5/c1-13(29-8-7-14(9-21(29)31)19-10-16(25)4-3-15(19)12-26)22(32)27-17-5-6-18-20(11-17)30(24(34)35)28(2)23(18)33/h3-11,13H,1-2H3,(H,27,32)(H,34,35).

What are the key properties of 6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid?

6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid has a molecular weight of 491.89 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanoylamino]-2-methyl-3-oxoindazole-1-carboxylic acid is sourced from PubChem (CID 118877858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).