methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate

C20H28N4O3 — CID 31840060

IUPACmethyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C
InChIInChI=1S/C20H28N4O3/c1-13(2)24-19-16(12-22-24)15(11-17(23-19)14-8-9-14)20(26)21-10-6-4-5-7-18(25)27-3/h11-14H,4-10H2,1-3H3,(H,21,26)
InChIKeyZUFCFFGSWKYWCI-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.35
Rot. Bonds9

About methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate

methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate (PubChem CID 31840060) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
PubChem CID31840060
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Namemethyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C
InChIInChI=1S/C20H28N4O3/c1-13(2)24-19-16(12-22-24)15(11-17(23-19)14-8-9-14)20(26)21-10-6-4-5-7-18(25)27-3/h11-14H,4-10H2,1-3H3,(H,21,26)
InChIKeyZUFCFFGSWKYWCI-UHFFFAOYSA-N
XLogP3.35
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate (CID 31840060) is methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C.
What is the InChIKey of methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate?
The InChIKey is ZUFCFFGSWKYWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-13(2)24-19-16(12-22-24)15(11-17(23-19)14-8-9-14)20(26)21-10-6-4-5-7-18(25)27-3/h11-14H,4-10H2,1-3H3,(H,21,26).
What are the key properties of methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate?
methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate has a molecular weight of 372.47 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate is sourced from PubChem (CID 31840060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).