methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate

C26H32N4O3 — CID 55758927

IUPACmethyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C
InChIInChI=1S/C26H32N4O3/c1-17-23-20(15-21(19-11-12-19)27-24(23)30(28-17)26(2,3)4)25(32)29(14-13-22(31)33-5)16-18-9-7-6-8-10-18/h6-10,15,19H,11-14,16H2,1-5H3
InChIKeyHMVSVVLPRPZQSQ-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.58
Rot. Bonds7

About methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate

methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate (PubChem CID 55758927) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate
PubChem CID55758927
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Namemethyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C
InChIInChI=1S/C26H32N4O3/c1-17-23-20(15-21(19-11-12-19)27-24(23)30(28-17)26(2,3)4)25(32)29(14-13-22(31)33-5)16-18-9-7-6-8-10-18/h6-10,15,19H,11-14,16H2,1-5H3
InChIKeyHMVSVVLPRPZQSQ-UHFFFAOYSA-N
XLogP4.58
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate 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 methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate (CID 55758927) is methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate is COC(=O)CCN(Cc1ccccc1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C.
What is the InChIKey of methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate?
The InChIKey is HMVSVVLPRPZQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-17-23-20(15-21(19-11-12-19)27-24(23)30(28-17)26(2,3)4)25(32)29(14-13-22(31)33-5)16-18-9-7-6-8-10-18/h6-10,15,19H,11-14,16H2,1-5H3.
What are the key properties of methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate?
methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate has a molecular weight of 448.57 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 55758927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).