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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Related Compounds

Ethyl 2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 9551527
Ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 777816
3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415010
Propan-2-yl 1-methyl-4-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-5-carboxylate
CID 165415034
Ethyl 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754757
Ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2998819
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
6-(3-Methylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71602215
Ethyl 2-(2,2-dimethylpropyl)-6-[(4-methylbenzoyl)amino]pyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 76328600
Ethyl 6-[(4-methylbenzoyl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732293
Ethyl 6-[(2-phenylacetyl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732307

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).