tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate

C15H24N4O2 — CID 168837754

IUPACtert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
SMILESCC1Cc2cn(C3CNC3)nc2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N4O2/c1-10-5-11-8-19(12-6-16-7-12)17-13(11)9-18(10)14(20)21-15(2,3)4/h8,10,12,16H,5-7,9H2,1-4H3
InChIKeyFQPACTAINWXNOT-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.71
Rot. Bonds1

About tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate

tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate (PubChem CID 168837754) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
PubChem CID168837754
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
SMILESCC1Cc2cn(C3CNC3)nc2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N4O2/c1-10-5-11-8-19(12-6-16-7-12)17-13(11)9-18(10)14(20)21-15(2,3)4/h8,10,12,16H,5-7,9H2,1-4H3
InChIKeyFQPACTAINWXNOT-UHFFFAOYSA-N
XLogP1.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-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 (5S)-2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 175916600
tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 154631016
tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 142416957
tert-butyl 3,6-dimethyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;ethane
CID 176669163
tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 153373718
tert-butyl (1S,5S)-3,6-diazabicyclo[3.2.1]octane-6-carboxylate
CID 98051561
tert-butyl (1S,5R)-2,7-diazabicyclo[3.3.1]nonane-2-carboxylate
CID 95396699
ditert-butyl 3,6,7-triazabicyclo[3.2.1]octane-6,7-dicarboxylate
CID 168886053
tert-butyl (1S,5R)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate
CID 75534864
tert-butyl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 83850088
tert-butyl (9aR)-6-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 155708042
tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;hydrochloride
CID 71721058

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate (CID 168837754) is tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate is CC1Cc2cn(C3CNC3)nc2CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The InChIKey is FQPACTAINWXNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-5-11-8-19(12-6-16-7-12)17-13(11)9-18(10)14(20)21-15(2,3)4/h8,10,12,16H,5-7,9H2,1-4H3.
What are the key properties of tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 168837754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).