2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid

C20H28N4O4 — CID 119347984

IUPAC2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C
InChIInChI=1S/C20H28N4O4/c1-12-17-14(19(27)23(8-9-28-5)11-16(25)26)10-15(13-6-7-13)21-18(17)24(22-12)20(2,3)4/h10,13H,6-9,11H2,1-5H3,(H,25,26)
InChIKeyYDCXMGNIVMABAB-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.55
Rot. Bonds7

About 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 119347984) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID119347984
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C
InChIInChI=1S/C20H28N4O4/c1-12-17-14(19(27)23(8-9-28-5)11-16(25)26)10-15(13-6-7-13)21-18(17)24(22-12)20(2,3)4/h10,13H,6-9,11H2,1-5H3,(H,25,26)
InChIKeyYDCXMGNIVMABAB-UHFFFAOYSA-N
XLogP2.55
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic 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 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 119347984) is 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C.
What is the InChIKey of 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is YDCXMGNIVMABAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-12-17-14(19(27)23(8-9-28-5)11-16(25)26)10-15(13-6-7-13)21-18(17)24(22-12)20(2,3)4/h10,13H,6-9,11H2,1-5H3,(H,25,26).
What are the key properties of 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 388.47 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119347984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).