2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid

C19H16N4O3 — CID 167472846

IUPAC2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid
SMILESCn1ncc2cc(Nc3cccc4ccn(CC(=O)O)c(=O)c34)ccc21
InChIInChI=1S/C19H16N4O3/c1-22-16-6-5-14(9-13(16)10-20-22)21-15-4-2-3-12-7-8-23(11-17(24)25)19(26)18(12)15/h2-10,21H,11H2,1H3,(H,24,25)
InChIKeyZGVCHHVUEVKMOV-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.72
Rot. Bonds4

About 2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid

2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid (PubChem CID 167472846) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid
PubChem CID167472846
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid
SMILESCn1ncc2cc(Nc3cccc4ccn(CC(=O)O)c(=O)c34)ccc21
InChIInChI=1S/C19H16N4O3/c1-22-16-6-5-14(9-13(16)10-20-22)21-15-4-2-3-12-7-8-23(11-17(24)25)19(26)18(12)15/h2-10,21H,11H2,1H3,(H,24,25)
InChIKeyZGVCHHVUEVKMOV-UHFFFAOYSA-N
XLogP2.72
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 167473060
fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one
CID 167472844
2-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-[(1-methylindazol-5-yl)amino]isoquinolin-1-one
CID 167472985
N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide
CID 167472881
2-[2-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-8-[(1-methylindazol-5-yl)amino]isoquinolin-1-one
CID 167472825
ethane;methyl 5-[[2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetyl]amino]pyridine-3-carboxylate
CID 167472944
(E)-2-methoxybut-2-ene;N-(5-methoxy-3-pyridinyl)-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide
CID 167472918
8-[(7-fluoro-1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one
CID 167472995
2-[8-[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxoisoquinolin-2-yl]-N-(1,2-oxazol-4-yl)acetamide
CID 167472955
ethane;2-[8-[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxoisoquinolin-2-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 167473063
2-[8-[(3-methyl-2H-indazol-5-yl)amino]-1-oxoisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 167472963
benzyl N-(1-methylindazol-5-yl)carbamate
CID 69411375

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid?
The IUPAC name of 2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid (CID 167472846) is 2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid?
The canonical SMILES for 2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid is Cn1ncc2cc(Nc3cccc4ccn(CC(=O)O)c(=O)c34)ccc21.
What is the InChIKey of 2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid?
The InChIKey is ZGVCHHVUEVKMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-22-16-6-5-14(9-13(16)10-20-22)21-15-4-2-3-12-7-8-23(11-17(24)25)19(26)18(12)15/h2-10,21H,11H2,1H3,(H,24,25).
What are the key properties of 2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid?
2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid has a molecular weight of 348.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid is sourced from PubChem (CID 167472846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).