methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate

C21H26N6O3 — CID 171315076

About methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate

methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 171315076) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 171315076
• Molecular Formula: C21H26N6O3
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.21
• IUPAC Name: methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: COC(=O)c1cc(C2CC2)nc2c1c(C)nn2CC(=O)Nc1cc(C)nn1C(C)C
• InChI: InChI=1S/C21H26N6O3/c1-11(2)27-17(8-12(3)24-27)23-18(28)10-26-20-19(13(4)25-26)15(21(29)30-5)9-16(22-20)14-6-7-14/h8-9,11,14H,6-7,10H2,1-5H3,(H,23,28)
• InChIKey: YWSIAGPQYJUUOU-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 103.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate (CID 171315076) is methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(C2CC2)nc2c1c(C)nn2CC(=O)Nc1cc(C)nn1C(C)C.

What is the InChIKey of methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is YWSIAGPQYJUUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-11(2)27-17(8-12(3)24-27)23-18(28)10-26-20-19(13(4)25-26)15(21(29)30-5)9-16(22-20)14-6-7-14/h8-9,11,14H,6-7,10H2,1-5H3,(H,23,28).

What are the key properties of methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate?

methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 410.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 171315076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).