2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid

C19H18N2O4 — CID 170857590

IUPAC2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid
SMILESCOc1ccc2c(c1)c(C(=O)c1ccc(C)cc1)nn2C(C)C(=O)O
InChIInChI=1S/C19H18N2O4/c1-11-4-6-13(7-5-11)18(22)17-15-10-14(25-3)8-9-16(15)21(20-17)12(2)19(23)24/h4-10,12H,1-3H3,(H,23,24)
InChIKeyVCQWICOXEXCWKQ-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.23
Rot. Bonds5

About 2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid

2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid (PubChem CID 170857590) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid
PubChem CID170857590
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid
SMILESCOc1ccc2c(c1)c(C(=O)c1ccc(C)cc1)nn2C(C)C(=O)O
InChIInChI=1S/C19H18N2O4/c1-11-4-6-13(7-5-11)18(22)17-15-10-14(25-3)8-9-16(15)21(20-17)12(2)19(23)24/h4-10,12H,1-3H3,(H,23,24)
InChIKeyVCQWICOXEXCWKQ-UHFFFAOYSA-N
XLogP3.23
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid
CID 170857578
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
5-methoxy-1-methylindazole-3-carboxylic acid
CID 45141403
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone
CID 142926296
[4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone
CID 135413871
(2R)-2-[[4-[(E)-3-[5-methoxy-2-methyl-3-(4-methylbenzoyl)indol-1-yl]prop-1-enyl]phenyl]methoxy]propanoic acid
CID 59430947
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid
CID 117121168
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid
CID 170857608
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid (CID 170857590) is 2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid is COc1ccc2c(c1)c(C(=O)c1ccc(C)cc1)nn2C(C)C(=O)O.
What is the InChIKey of 2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid?
The InChIKey is VCQWICOXEXCWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-4-6-13(7-5-11)18(22)17-15-10-14(25-3)8-9-16(15)21(20-17)12(2)19(23)24/h4-10,12H,1-3H3,(H,23,24).
What are the key properties of 2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid?
2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid has a molecular weight of 338.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid is sourced from PubChem (CID 170857590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).