propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate

C18H17N3O3 — CID 162652675

IUPACpropan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCc1cccc(C(=O)n2nc(C(=O)OC(C)C)c3cccnc32)c1
InChIInChI=1S/C18H17N3O3/c1-11(2)24-18(23)15-14-8-5-9-19-16(14)21(20-15)17(22)13-7-4-6-12(3)10-13/h4-11H,1-3H3
InChIKeyRMYPVIRAQFNZMF-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.99
Rot. Bonds3

About propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate

propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 162652675) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID162652675
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Namepropan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCc1cccc(C(=O)n2nc(C(=O)OC(C)C)c3cccnc32)c1
InChIInChI=1S/C18H17N3O3/c1-11(2)24-18(23)15-14-8-5-9-19-16(14)21(20-15)17(22)13-7-4-6-12(3)10-13/h4-11H,1-3H3
InChIKeyRMYPVIRAQFNZMF-UHFFFAOYSA-N
XLogP2.99
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate (CID 162652675) is propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate is Cc1cccc(C(=O)n2nc(C(=O)OC(C)C)c3cccnc32)c1.
What is the InChIKey of propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is RMYPVIRAQFNZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11(2)24-18(23)15-14-8-5-9-19-16(14)21(20-15)17(22)13-7-4-6-12(3)10-13/h4-11H,1-3H3.
What are the key properties of propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 162652675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).