2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid

C15H17N3O3 — CID 170624467

IUPAC2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid
SMILESCn1nc(C2CCCNC2=O)c2ccc(CC(=O)O)cc21
InChIInChI=1S/C15H17N3O3/c1-18-12-7-9(8-13(19)20)4-5-10(12)14(17-18)11-3-2-6-16-15(11)21/h4-5,7,11H,2-3,6,8H2,1H3,(H,16,21)(H,19,20)
InChIKeyQFUIOIKZDNMVAX-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.19
Rot. Bonds3

About 2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid

2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid (PubChem CID 170624467) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid
PubChem CID170624467
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid
SMILESCn1nc(C2CCCNC2=O)c2ccc(CC(=O)O)cc21
InChIInChI=1S/C15H17N3O3/c1-18-12-7-9(8-13(19)20)4-5-10(12)14(17-18)11-3-2-6-16-15(11)21/h4-5,7,11H,2-3,6,8H2,1H3,(H,16,21)(H,19,20)
InChIKeyQFUIOIKZDNMVAX-UHFFFAOYSA-N
XLogP1.19
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid?
The IUPAC name of 2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid (CID 170624467) is 2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid.
What is the SMILES notation for 2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid?
The canonical SMILES for 2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid is Cn1nc(C2CCCNC2=O)c2ccc(CC(=O)O)cc21.
What is the InChIKey of 2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid?
The InChIKey is QFUIOIKZDNMVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-12-7-9(8-13(19)20)4-5-10(12)14(17-18)11-3-2-6-16-15(11)21/h4-5,7,11H,2-3,6,8H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid?
2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid is sourced from PubChem (CID 170624467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).