tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate

C14H17ClN4O2 — CID 165484370

IUPACtert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(n2ncc3c(Cl)ccnc32)C1
InChIInChI=1S/C14H17ClN4O2/c1-14(2,3)21-13(20)18-7-9(8-18)19-12-10(6-17-19)11(15)4-5-16-12/h4-6,9H,7-8H2,1-3H3
InChIKeyVPXLAHSEJOCOMS-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.88
Rot. Bonds1

About tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate

tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate (PubChem CID 165484370) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate
PubChem CID165484370
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Nametert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(n2ncc3c(Cl)ccnc32)C1
InChIInChI=1S/C14H17ClN4O2/c1-14(2,3)21-13(20)18-7-9(8-18)19-12-10(6-17-19)11(15)4-5-16-12/h4-6,9H,7-8H2,1-3H3
InChIKeyVPXLAHSEJOCOMS-UHFFFAOYSA-N
XLogP2.88
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-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 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane
CID 144996243
tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate
CID 167739273
potassium trifluoro-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrazol-3-yl]boranuide
CID 167740536
methyl 4-chloro-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrazole-5-carboxylate
CID 156730457
tert-butyl 4-(6-chloropyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 163560176
ethyl 4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrazole-5-carboxylate
CID 138857558
ethyl 5-amino-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrazole-4-carboxylate
CID 169254020
tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 171543961
tert-butyl 3-(2-bromoimidazol-1-yl)azetidine-1-carboxylate
CID 172993569
tert-butyl 3-(5-methyl-3-propan-2-ylpyrazol-1-yl)azetidine-1-carboxylate;ethane
CID 144669766
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]indazole-3-carboxylate
CID 138857595
tert-butyl 3-[4-[(2-chloroacetyl)amino]triazol-2-yl]azetidine-1-carboxylate
CID 167992455

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate (CID 165484370) is tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(n2ncc3c(Cl)ccnc32)C1.
What is the InChIKey of tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate?
The InChIKey is VPXLAHSEJOCOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-14(2,3)21-13(20)18-7-9(8-18)19-12-10(6-17-19)11(15)4-5-16-12/h4-6,9H,7-8H2,1-3H3.
What are the key properties of tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate?
tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate has a molecular weight of 308.77 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate is sourced from PubChem (CID 165484370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).