2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid

C16H15N3O4 — CID 67150911

IUPAC2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid
SMILESCOc1ccc2c(c1)c(-c1ccc(=O)[nH]n1)c(C)n2CC(=O)O
InChIInChI=1S/C16H15N3O4/c1-9-16(12-4-6-14(20)18-17-12)11-7-10(23-2)3-5-13(11)19(9)8-15(21)22/h3-7H,8H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyWFGDAWIUITUIKN-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.79
Rot. Bonds4

About 2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid

2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid (PubChem CID 67150911) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid
PubChem CID67150911
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid
SMILESCOc1ccc2c(c1)c(-c1ccc(=O)[nH]n1)c(C)n2CC(=O)O
InChIInChI=1S/C16H15N3O4/c1-9-16(12-4-6-14(20)18-17-12)11-7-10(23-2)3-5-13(11)19(9)8-15(21)22/h3-7H,8H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyWFGDAWIUITUIKN-UHFFFAOYSA-N
XLogP1.79
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid
CID 10473681
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736
2-[2-methyl-3-[(6-oxo-1H-pyridazin-3-yl)methyl]indol-1-yl]acetic acid
CID 67150827
2-[5-chloro-2-methyl-3-(4-oxo-3H-phthalazin-1-yl)indol-1-yl]acetic acid
CID 67151302
2-[5-methoxy-2-methyl-1-(2-methylpropyl)indol-3-yl]acetic acid
CID 23368755
2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82248163
2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117263069
2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid
CID 66652240
1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82246138
3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108598
1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251138
2-[5-fluoro-3-[2-[(4-methoxyphenyl)methyl]-1,1-dioxo-1λ6,2,3-benzothiadiazin-4-yl]-2-methylindol-1-yl]acetic acid
CID 11663445

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid?
The IUPAC name of 2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid (CID 67150911) is 2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid is COc1ccc2c(c1)c(-c1ccc(=O)[nH]n1)c(C)n2CC(=O)O.
What is the InChIKey of 2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid?
The InChIKey is WFGDAWIUITUIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-9-16(12-4-6-14(20)18-17-12)11-7-10(23-2)3-5-13(11)19(9)8-15(21)22/h3-7H,8H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid?
2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid has a molecular weight of 313.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid is sourced from PubChem (CID 67150911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).