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

C14H19N3O3 — CID 19622979

IUPAC2-(1-butyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid
SMILESCCCCn1nc(C)c2c(C)cc(=O)n(CC(=O)O)c21
InChIInChI=1S/C14H19N3O3/c1-4-5-6-17-14-13(10(3)15-17)9(2)7-11(18)16(14)8-12(19)20/h7H,4-6,8H2,1-3H3,(H,19,20)
InChIKeyKRXHVKCJLVOQLS-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.70
Rot. Bonds5

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

2-(1-butyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid (PubChem CID 19622979) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(1-butyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(1-butyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid
PubChem CID19622979
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(1-butyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid
SMILESCCCCn1nc(C)c2c(C)cc(=O)n(CC(=O)O)c21
InChIInChI=1S/C14H19N3O3/c1-4-5-6-17-14-13(10(3)15-17)9(2)7-11(18)16(14)8-12(19)20/h7H,4-6,8H2,1-3H3,(H,19,20)
InChIKeyKRXHVKCJLVOQLS-UHFFFAOYSA-N
XLogP1.70
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid?
The IUPAC name of 2-(1-butyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid (CID 19622979) is 2-(1-butyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid.
What is the SMILES notation for 2-(1-butyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid?
The canonical SMILES for 2-(1-butyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid is CCCCn1nc(C)c2c(C)cc(=O)n(CC(=O)O)c21.
What is the InChIKey of 2-(1-butyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid?
The InChIKey is KRXHVKCJLVOQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-5-6-17-14-13(10(3)15-17)9(2)7-11(18)16(14)8-12(19)20/h7H,4-6,8H2,1-3H3,(H,19,20).
What are the key properties of 2-(1-butyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid?
2-(1-butyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid is sourced from PubChem (CID 19622979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).