(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

C16H18N4O3 — CID 18131874

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCc1noc(C)c1COC(=O)c1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C16H18N4O3/c1-9(2)20-15-12(7-18-20)5-13(6-17-15)16(21)22-8-14-10(3)19-23-11(14)4/h5-7,9H,8H2,1-4H3
InChIKeyMTTGQYKNZBLUPL-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.97
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 18131874) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID18131874
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCc1noc(C)c1COC(=O)c1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C16H18N4O3/c1-9(2)20-15-12(7-18-20)5-13(6-17-15)16(21)22-8-14-10(3)19-23-11(14)4/h5-7,9H,8H2,1-4H3
InChIKeyMTTGQYKNZBLUPL-UHFFFAOYSA-N
XLogP2.97
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28781610
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate
CID 18122654
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 3881319
(4-oxo-3H-quinazolin-2-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 135777125
(2-anilino-1,3-thiazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55491145
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 55392584
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 18158188
N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581530
[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55537135
butyl 4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate
CID 42157480
N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 46523701
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18192237

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 18131874) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is Cc1noc(C)c1COC(=O)c1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is MTTGQYKNZBLUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-9(2)20-15-12(7-18-20)5-13(6-17-15)16(21)22-8-14-10(3)19-23-11(14)4/h5-7,9H,8H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 314.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 18131874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).