1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid

C24H27N3O4 — CID 11293090

IUPAC1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid
SMILESCc1cccc(C(C)C)c1CNC(=O)n1c(=O)c2cccc(C(=O)O)c2n1CC1CC1
InChIInChI=1S/C24H27N3O4/c1-14(2)17-7-4-6-15(3)20(17)12-25-24(31)27-22(28)18-8-5-9-19(23(29)30)21(18)26(27)13-16-10-11-16/h4-9,14,16H,10-13H2,1-3H3,(H,25,31)(H,29,30)
InChIKeyZKZQUCGNARLFAO-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.10
Rot. Bonds6

About 1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid

1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid (PubChem CID 11293090) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid
PubChem CID11293090
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid
SMILESCc1cccc(C(C)C)c1CNC(=O)n1c(=O)c2cccc(C(=O)O)c2n1CC1CC1
InChIInChI=1S/C24H27N3O4/c1-14(2)17-7-4-6-15(3)20(17)12-25-24(31)27-22(28)18-8-5-9-19(23(29)30)21(18)26(27)13-16-10-11-16/h4-9,14,16H,10-13H2,1-3H3,(H,25,31)(H,29,30)
InChIKeyZKZQUCGNARLFAO-UHFFFAOYSA-N
XLogP4.10
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid
CID 1253782
2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid
CID 1340970
3-methyl-2-({[2-(2-methylpropyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)benzoic acid
CID 1230955
2-[(5-fluoro-2-methylphenyl)methylcarbamoyl]-3-oxo-1H-indazole-7-carboxylic acid
CID 11348472
3-oxo-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]-1H-indazole-7-carboxylic Acid
CID 11485772
2-[benzyl(trifluoromethyl)carbamoyl]-3-oxo-1H-indazole-7-carboxylic acid
CID 68838861
2-[(3-fluorophenyl)methyl-methylcarbamoyl]-3-oxo-1H-indazole-7-carboxylic acid
CID 68840870
1-(2-Fluoroethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid
CID 70969030
2-Amino-3-[[2-(trifluoromethyl)phenyl]methylcarbamoylcarbamoyl]benzoic acid
CID 142955362
2-Amino-3-[(5-fluoro-2-methylphenyl)methylcarbamoylcarbamoyl]benzoic acid
CID 142955417
[1-(2-Fluoroethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carbonyl]oxidanium
CID 163428373
2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-3-oxo-1H-indazole-7-carboxylic acid
CID 11187312

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid (CID 11293090) is 1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid is Cc1cccc(C(C)C)c1CNC(=O)n1c(=O)c2cccc(C(=O)O)c2n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid?
The InChIKey is ZKZQUCGNARLFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-14(2)17-7-4-6-15(3)20(17)12-25-24(31)27-22(28)18-8-5-9-19(23(29)30)21(18)26(27)13-16-10-11-16/h4-9,14,16H,10-13H2,1-3H3,(H,25,31)(H,29,30).
What are the key properties of 1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid?
1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid has a molecular weight of 421.50 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid is sourced from PubChem (CID 11293090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).