(4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

C19H17N5O3 — CID 135777125

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCC(C)n1ncc2cc(C(=O)OCc3nc4ccccc4c(=O)[nH]3)cnc21
InChIInChI=1S/C19H17N5O3/c1-11(2)24-17-12(9-21-24)7-13(8-20-17)19(26)27-10-16-22-15-6-4-3-5-14(15)18(25)23-16/h3-9,11H,10H2,1-2H3,(H,22,23,25)
InChIKeySWZPKTKPNKTCEZ-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.61
Rot. Bonds4

About (4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

(4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 135777125) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID135777125
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCC(C)n1ncc2cc(C(=O)OCc3nc4ccccc4c(=O)[nH]3)cnc21
InChIInChI=1S/C19H17N5O3/c1-11(2)24-17-12(9-21-24)7-13(8-20-17)19(26)27-10-16-22-15-6-4-3-5-14(15)18(25)23-16/h3-9,11H,10H2,1-2H3,(H,22,23,25)
InChIKeySWZPKTKPNKTCEZ-UHFFFAOYSA-N
XLogP2.61
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
CID 135734851
(4-oxo-3H-quinazolin-2-yl)methyl 4-tert-butylbenzoate
CID 135734936
(4-oxo-3H-quinazolin-2-yl)methyl 4-bromobenzoate
CID 135734946
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
(4-oxo-3H-quinazolin-2-yl)methyl 3-fluorobenzoate
CID 135734891
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 135734742
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 18131874
(4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate
CID 135734831
(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate
CID 135734893
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dimethylbenzoate
CID 135473691
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 135734795
(4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate
CID 135665444

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 135777125) is (4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is CC(C)n1ncc2cc(C(=O)OCc3nc4ccccc4c(=O)[nH]3)cnc21.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is SWZPKTKPNKTCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-11(2)24-17-12(9-21-24)7-13(8-20-17)19(26)27-10-16-22-15-6-4-3-5-14(15)18(25)23-16/h3-9,11H,10H2,1-2H3,(H,22,23,25).
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
(4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 363.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135777125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).