4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid

C20H24N4O3 — CID 166289984

IUPAC4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid
SMILESCn1ncc2c(C(=O)NC34CCC(C(=O)O)(CC3)CC4)cc(C3CC3)nc21
InChIInChI=1S/C20H24N4O3/c1-24-16-14(11-21-24)13(10-15(22-16)12-2-3-12)17(25)23-20-7-4-19(5-8-20,6-9-20)18(26)27/h10-12H,2-9H2,1H3,(H,23,25)(H,26,27)
InChIKeyZXZUNQBHSCXELY-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.75
Rot. Bonds4

About 4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid

4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid (PubChem CID 166289984) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid
PubChem CID166289984
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid
SMILESCn1ncc2c(C(=O)NC34CCC(C(=O)O)(CC3)CC4)cc(C3CC3)nc21
InChIInChI=1S/C20H24N4O3/c1-24-16-14(11-21-24)13(10-15(22-16)12-2-3-12)17(25)23-20-7-4-19(5-8-20,6-9-20)18(26)27/h10-12H,2-9H2,1H3,(H,23,25)(H,26,27)
InChIKeyZXZUNQBHSCXELY-UHFFFAOYSA-N
XLogP2.75
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid?
The IUPAC name of 4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid (CID 166289984) is 4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid?
The canonical SMILES for 4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid is Cn1ncc2c(C(=O)NC34CCC(C(=O)O)(CC3)CC4)cc(C3CC3)nc21.
What is the InChIKey of 4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid?
The InChIKey is ZXZUNQBHSCXELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-24-16-14(11-21-24)13(10-15(22-16)12-2-3-12)17(25)23-20-7-4-19(5-8-20,6-9-20)18(26)27/h10-12H,2-9H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid?
4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid has a molecular weight of 368.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid is sourced from PubChem (CID 166289984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).