methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

C17H20N4O3 — CID 25247593

IUPACmethyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2c1c(C)nn2CC(=O)NC1CC1
InChIInChI=1S/C17H20N4O3/c1-9-15-12(17(23)24-2)7-13(10-3-4-10)19-16(15)21(20-9)8-14(22)18-11-5-6-11/h7,10-11H,3-6,8H2,1-2H3,(H,18,22)
InChIKeyHHGOPUGPSKFZAA-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.68
Rot. Bonds5

About methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 25247593) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID25247593
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Namemethyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2c1c(C)nn2CC(=O)NC1CC1
InChIInChI=1S/C17H20N4O3/c1-9-15-12(17(23)24-2)7-13(10-3-4-10)19-16(15)21(20-9)8-14(22)18-11-5-6-11/h7,10-11H,3-6,8H2,1-2H3,(H,18,22)
InChIKeyHHGOPUGPSKFZAA-UHFFFAOYSA-N
XLogP1.68
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 25247593) is methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(C2CC2)nc2c1c(C)nn2CC(=O)NC1CC1.
What is the InChIKey of methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is HHGOPUGPSKFZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-9-15-12(17(23)24-2)7-13(10-3-4-10)19-16(15)21(20-9)8-14(22)18-11-5-6-11/h7,10-11H,3-6,8H2,1-2H3,(H,18,22).
What are the key properties of methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 25247593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).