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

IUPACmethyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2c1c(C)nn2CC(=O)Nc1cc(C)nn1C(C)C
InChIInChI=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)
InChIKeyYWSIAGPQYJUUOU-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.13
Rot. Bonds6

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 Namemethyl 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 CID171315076
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Namemethyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2c1c(C)nn2CC(=O)Nc1cc(C)nn1C(C)C
InChIInChI=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)
InChIKeyYWSIAGPQYJUUOU-UHFFFAOYSA-N
XLogP3.13
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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).