methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate

C16H22N4O3 — CID 78839711

IUPACmethyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)c1cnc2c(c1)c(C)nn2C)C(=O)OC
InChIInChI=1S/C16H22N4O3/c1-6-9(2)13(16(22)23-5)18-15(21)11-7-12-10(3)19-20(4)14(12)17-8-11/h7-9,13H,6H2,1-5H3,(H,18,21)
InChIKeyKPUHJJNPYRHDBF-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.59
Rot. Bonds5

About methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate

methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate (PubChem CID 78839711) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate
PubChem CID78839711
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Namemethyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)c1cnc2c(c1)c(C)nn2C)C(=O)OC
InChIInChI=1S/C16H22N4O3/c1-6-9(2)13(16(22)23-5)18-15(21)11-7-12-10(3)19-20(4)14(12)17-8-11/h7-9,13H,6H2,1-5H3,(H,18,21)
InChIKeyKPUHJJNPYRHDBF-UHFFFAOYSA-N
XLogP1.59
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate 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

2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoic acid
CID 120520882
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate
CID 43409851
1,3-dimethyl-N-pentan-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937289
N-(1-hydroxybutan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43417939
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 79246411
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 107564561
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
CID 119360944
N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119666075
N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 112551049
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-methylpropanoate
CID 43074404
N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 65031981
N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 99702094

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate (CID 78839711) is methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate is CCC(C)C(NC(=O)c1cnc2c(c1)c(C)nn2C)C(=O)OC.
What is the InChIKey of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate?
The InChIKey is KPUHJJNPYRHDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-6-9(2)13(16(22)23-5)18-15(21)11-7-12-10(3)19-20(4)14(12)17-8-11/h7-9,13H,6H2,1-5H3,(H,18,21).
What are the key properties of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate?
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate has a molecular weight of 318.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate is sourced from PubChem (CID 78839711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).