2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid

C11H13N3O3 — CID 19622966

IUPAC2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid
SMILESCc1cc(=O)n(CC(=O)O)c2c1c(C)nn2C
InChIInChI=1S/C11H13N3O3/c1-6-4-8(15)14(5-9(16)17)11-10(6)7(2)12-13(11)3/h4H,5H2,1-3H3,(H,16,17)
InChIKeyOYCXUHXBCQRIOX-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.44
Rot. Bonds2

About 2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid

2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid (PubChem CID 19622966) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid
PubChem CID19622966
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid
SMILESCc1cc(=O)n(CC(=O)O)c2c1c(C)nn2C
InChIInChI=1S/C11H13N3O3/c1-6-4-8(15)14(5-9(16)17)11-10(6)7(2)12-13(11)3/h4H,5H2,1-3H3,(H,16,17)
InChIKeyOYCXUHXBCQRIOX-UHFFFAOYSA-N
XLogP0.44
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid?
The IUPAC name of 2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid (CID 19622966) is 2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid.
What is the SMILES notation for 2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid?
The canonical SMILES for 2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid is Cc1cc(=O)n(CC(=O)O)c2c1c(C)nn2C.
What is the InChIKey of 2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid?
The InChIKey is OYCXUHXBCQRIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-4-8(15)14(5-9(16)17)11-10(6)7(2)12-13(11)3/h4H,5H2,1-3H3,(H,16,17).
What are the key properties of 2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid?
2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid has a molecular weight of 235.24 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid is sourced from PubChem (CID 19622966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).