tert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate

C16H23ClN4O3 — CID 167137981

IUPACtert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2nnc(Cl)c3c2COC3)C1
InChIInChI=1S/C16H23ClN4O3/c1-16(2,3)24-15(22)21-6-4-5-10(7-21)18-14-12-9-23-8-11(12)13(17)19-20-14/h10H,4-9H2,1-3H3,(H,18,20)/t10-/m1/s1
InChIKeyUSRNOFRSHRWRSK-SNVBAGLBSA-N
MW354.84 g/mol
LogP2.97
Rot. Bonds2

About tert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate (PubChem CID 167137981) has the molecular formula C16H23ClN4O3 and a molecular weight of 354.84 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate
PubChem CID167137981
Molecular FormulaC16H23ClN4O3
Molecular Weight354.84 g/mol
Exact Mass354.15
IUPAC Nametert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2nnc(Cl)c3c2COC3)C1
InChIInChI=1S/C16H23ClN4O3/c1-16(2,3)24-15(22)21-6-4-5-10(7-21)18-14-12-9-23-8-11(12)13(17)19-20-14/h10H,4-9H2,1-3H3,(H,18,20)/t10-/m1/s1
InChIKeyUSRNOFRSHRWRSK-SNVBAGLBSA-N
XLogP2.97
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate (CID 167137981) is tert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nnc(Cl)c3c2COC3)C1.
What is the InChIKey of tert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate?
The InChIKey is USRNOFRSHRWRSK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H23ClN4O3/c1-16(2,3)24-15(22)21-6-4-5-10(7-21)18-14-12-9-23-8-11(12)13(17)19-20-14/h10H,4-9H2,1-3H3,(H,18,20)/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate has a molecular weight of 354.84 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 167137981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).