tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

C23H31N3O5S — CID 71736241

IUPACtert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(C4=CCN(S(C)(=O)=O)CC4)ncc3o2)CC1
InChIInChI=1S/C23H31N3O5S/c1-23(2,3)31-22(27)25-9-5-17(6-10-25)20-14-18-13-19(24-15-21(18)30-20)16-7-11-26(12-8-16)32(4,28)29/h7,13-15,17H,5-6,8-12H2,1-4H3
InChIKeyCZPCSTRPNNNCOR-UHFFFAOYSA-N
MW461.58 g/mol
LogP3.99
Rot. Bonds3

About tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 71736241) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID71736241
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Nametert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(C4=CCN(S(C)(=O)=O)CC4)ncc3o2)CC1
InChIInChI=1S/C23H31N3O5S/c1-23(2,3)31-22(27)25-9-5-17(6-10-25)20-14-18-13-19(24-15-21(18)30-20)16-7-11-26(12-8-16)32(4,28)29/h7,13-15,17H,5-6,8-12H2,1-4H3
InChIKeyCZPCSTRPNNNCOR-UHFFFAOYSA-N
XLogP3.99
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (CID 71736241) is tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc3cc(C4=CCN(S(C)(=O)=O)CC4)ncc3o2)CC1.
What is the InChIKey of tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is CZPCSTRPNNNCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-23(2,3)31-22(27)25-9-5-17(6-10-25)20-14-18-13-19(24-15-21(18)30-20)16-7-11-26(12-8-16)32(4,28)29/h7,13-15,17H,5-6,8-12H2,1-4H3.
What are the key properties of tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 461.58 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 71736241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).