tert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate

C15H21N5O3 — CID 146570084

IUPACtert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate
SMILESCNC(C)C(=O)Nc1ccc2c(cnn2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H21N5O3/c1-9(16-5)13(21)19-12-7-6-11-10(18-12)8-17-20(11)14(22)23-15(2,3)4/h6-9,16H,1-5H3,(H,18,19,21)
InChIKeyZIMRFIYZADFKSG-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.76
Rot. Bonds3

About tert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate

tert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate (PubChem CID 146570084) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is tert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate
PubChem CID146570084
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Nametert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate
SMILESCNC(C)C(=O)Nc1ccc2c(cnn2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H21N5O3/c1-9(16-5)13(21)19-12-7-6-11-10(18-12)8-17-20(11)14(22)23-15(2,3)4/h6-9,16H,1-5H3,(H,18,19,21)
InChIKeyZIMRFIYZADFKSG-UHFFFAOYSA-N
XLogP1.76
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-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

tert-butyl 5-hydroxyindazole-1-carboxylate
CID 118798018
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide
CID 70981898
tert-butyl 5-[[(2R,4R)-1-[4,4-difluoro-1-(4-methoxycarbonylphenyl)cyclohexanecarbonyl]-4-fluoropyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate
CID 142504097
tert-butyl 5-[[(2R,4R)-1-[4,4-difluoro-1-(3-fluoro-4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoropyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate
CID 142504042
tert-butyl 5-[[(2R,4S)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-phenylmethoxypyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate
CID 142504347
tert-butyl N-[(2S)-1-[(6-bromo-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
CID 130325015
tert-butyl 5-nitroindazole-1-carboxylate
CID 11499917
tert-butyl 4-(dimethylamino)-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]indazole-1-carboxylate
CID 66919485
tert-butyl 5-methyl-4-propan-2-ylpyrazole-1-carboxylate
CID 165371899
tert-butyl 6-(trifluoromethyl)pyrazolo[4,5-b]pyridine-1-carboxylate
CID 118987115
tert-butyl 5-[[2-[3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]phenyl]quinazolin-4-yl]amino]indazole-1-carboxylate
CID 59361858
tert-butyl 6-bromo-5-(3,3-dimethylbutanoylamino)indazole-1-carboxylate
CID 122650629

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate (CID 146570084) is tert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate is CNC(C)C(=O)Nc1ccc2c(cnn2C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate?
The InChIKey is ZIMRFIYZADFKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-9(16-5)13(21)19-12-7-6-11-10(18-12)8-17-20(11)14(22)23-15(2,3)4/h6-9,16H,1-5H3,(H,18,19,21).
What are the key properties of tert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate?
tert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate has a molecular weight of 319.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[2-(methylamino)propanoylamino]pyrazolo[4,5-b]pyridine-1-carboxylate is sourced from PubChem (CID 146570084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).