tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane

C18H27ClN4O2 — CID 143436661

IUPACtert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3nccc3n2)C1
InChIInChI=1S/C16H21ClN4O2.C2H6/c1-16(2,3)23-15(22)20-8-4-5-11(10-20)12-9-13(17)21-14(19-12)6-7-18-21;1-2/h6-7,9,11H,4-5,8,10H2,1-3H3;1-2H3
InChIKeyYTXUQTBERNXAPP-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.52
Rot. Bonds1

About tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane

tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane (PubChem CID 143436661) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane
PubChem CID143436661
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Nametert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3nccc3n2)C1
InChIInChI=1S/C16H21ClN4O2.C2H6/c1-16(2,3)23-15(22)20-8-4-5-11(10-20)12-9-13(17)21-14(19-12)6-7-18-21;1-2/h6-7,9,11H,4-5,8,10H2,1-3H3;1-2H3
InChIKeyYTXUQTBERNXAPP-UHFFFAOYSA-N
XLogP4.52
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane (CID 143436661) is tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3nccc3n2)C1.
What is the InChIKey of tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane?
The InChIKey is YTXUQTBERNXAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2.C2H6/c1-16(2,3)23-15(22)20-8-4-5-11(10-20)12-9-13(17)21-14(19-12)6-7-18-21;1-2/h6-7,9,11H,4-5,8,10H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane?
tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane has a molecular weight of 366.89 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;ethane is sourced from PubChem (CID 143436661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).