2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid

C13H17N3O3 — CID 19622976

IUPAC2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid
SMILESCCCn1nc(C)c2c(C)cc(=O)n(CC(=O)O)c21
InChIInChI=1S/C13H17N3O3/c1-4-5-16-13-12(9(3)14-16)8(2)6-10(17)15(13)7-11(18)19/h6H,4-5,7H2,1-3H3,(H,18,19)
InChIKeyMQFJQDUAXGGTBC-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.31
Rot. Bonds4

About 2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid

2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid (PubChem CID 19622976) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid
PubChem CID19622976
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid
SMILESCCCn1nc(C)c2c(C)cc(=O)n(CC(=O)O)c21
InChIInChI=1S/C13H17N3O3/c1-4-5-16-13-12(9(3)14-16)8(2)6-10(17)15(13)7-11(18)19/h6H,4-5,7H2,1-3H3,(H,18,19)
InChIKeyMQFJQDUAXGGTBC-UHFFFAOYSA-N
XLogP1.31
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid?
The IUPAC name of 2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid (CID 19622976) is 2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid.
What is the SMILES notation for 2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid?
The canonical SMILES for 2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid is CCCn1nc(C)c2c(C)cc(=O)n(CC(=O)O)c21.
What is the InChIKey of 2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid?
The InChIKey is MQFJQDUAXGGTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-4-5-16-13-12(9(3)14-16)8(2)6-10(17)15(13)7-11(18)19/h6H,4-5,7H2,1-3H3,(H,18,19).
What are the key properties of 2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid?
2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid has a molecular weight of 263.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-6-oxo-1-propylpyrazolo[5,4-b]pyridin-7-yl)acetic acid is sourced from PubChem (CID 19622976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).