[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate

C21H24N4O3 — CID 41406873

IUPAC[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCc1cc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C21H24N4O3/c1-13(2)25-19-17(12-22-25)16(11-14(3)23-19)21(27)28-18(20(26)24(4)5)15-9-7-6-8-10-15/h6-13,18H,1-5H3/t18-/m1/s1
InChIKeyCZBQGTJVNCWIGH-GOSISDBHSA-N
MW380.45 g/mol
LogP3.31
Rot. Bonds5

About [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 41406873) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID41406873
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCc1cc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C21H24N4O3/c1-13(2)25-19-17(12-22-25)16(11-14(3)23-19)21(27)28-18(20(26)24(4)5)15-9-7-6-8-10-15/h6-13,18H,1-5H3/t18-/m1/s1
InChIKeyCZBQGTJVNCWIGH-GOSISDBHSA-N
XLogP3.31
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-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

(1-oxo-1-phenylpropan-2-yl) 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 42928941
N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43054671
(2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42897722
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 55338714
propan-2-yl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46538389
[1-(carbamoylamino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 46675930
[2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46694189
4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119346929
2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120524365
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 41406113
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 41406540
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 146126346

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate (CID 41406873) is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate is Cc1cc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c2cnn(C(C)C)c2n1.
What is the InChIKey of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is CZBQGTJVNCWIGH-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13(2)25-19-17(12-22-25)16(11-14(3)23-19)21(27)28-18(20(26)24(4)5)15-9-7-6-8-10-15/h6-13,18H,1-5H3/t18-/m1/s1.
What are the key properties of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 380.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 41406873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).