tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate

C29H35N5O4S — CID 123201531

About tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate

tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate (PubChem CID 123201531) has the molecular formula C29H35N5O4S and a molecular weight of 549.70 g/mol. Its IUPAC name is tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate
• PubChem CID: 123201531
• Molecular Formula: C29H35N5O4S
• Molecular Weight: 549.70 g/mol
• Exact Mass: 549.24
• IUPAC Name: tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(C=CC(=O)N3CC=C(Cc4nccs4)CC3)cnc1NC2=O
• InChI: InChI=1S/C29H35N5O4S/c1-28(2,3)38-27(37)34-13-8-29(9-14-34)18-22-16-21(19-31-25(22)32-26(29)36)4-5-24(35)33-11-6-20(7-12-33)17-23-30-10-15-39-23/h4-6,10,15-16,19H,7-9,11-14,17-18H2,1-3H3,(H,31,32,36)
• InChIKey: GWUZKIGJFAMWBT-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 104.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.70
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate?

The IUPAC name of tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate (CID 123201531) is tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate.

What is the SMILES notation for tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate?

The canonical SMILES for tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(C=CC(=O)N3CC=C(Cc4nccs4)CC3)cnc1NC2=O.

What is the InChIKey of tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate?

The InChIKey is GWUZKIGJFAMWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O4S/c1-28(2,3)38-27(37)34-13-8-29(9-14-34)18-22-16-21(19-31-25(22)32-26(29)36)4-5-24(35)33-11-6-20(7-12-33)17-23-30-10-15-39-23/h4-6,10,15-16,19H,7-9,11-14,17-18H2,1-3H3,(H,31,32,36).

What are the key properties of tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate?

tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate has a molecular weight of 549.70 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 123201531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).