tert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate

C24H34BFN4O4 — CID 67339679

IUPACtert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2c(F)cnc3cnc(B4OC(C)(C)C(C)(C)O4)cc23)C1
InChIInChI=1S/C24H34BFN4O4/c1-22(2,3)32-21(31)29-15-9-8-10-30(14-15)20-16-11-19(28-13-18(16)27-12-17(20)26)25-33-23(4,5)24(6,7)34-25/h11-13,15H,8-10,14H2,1-7H3,(H,29,31)
InChIKeyUZXOFQZDRJVAPO-UHFFFAOYSA-N
MW472.37 g/mol
LogP3.56
Rot. Bonds3

About tert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate

tert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate (PubChem CID 67339679) has the molecular formula C24H34BFN4O4 and a molecular weight of 472.37 g/mol. Its IUPAC name is tert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate
PubChem CID67339679
Molecular FormulaC24H34BFN4O4
Molecular Weight472.37 g/mol
Exact Mass472.27
IUPAC Nametert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2c(F)cnc3cnc(B4OC(C)(C)C(C)(C)O4)cc23)C1
InChIInChI=1S/C24H34BFN4O4/c1-22(2,3)32-21(31)29-15-9-8-10-30(14-15)20-16-11-19(28-13-18(16)27-12-17(20)26)25-33-23(4,5)24(6,7)34-25/h11-13,15H,8-10,14H2,1-7H3,(H,29,31)
InChIKeyUZXOFQZDRJVAPO-UHFFFAOYSA-N
XLogP3.56
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate (CID 67339679) is tert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(c2c(F)cnc3cnc(B4OC(C)(C)C(C)(C)O4)cc23)C1.
What is the InChIKey of tert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate?
The InChIKey is UZXOFQZDRJVAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34BFN4O4/c1-22(2,3)32-21(31)29-15-9-8-10-30(14-15)20-16-11-19(28-13-18(16)27-12-17(20)26)25-33-23(4,5)24(6,7)34-25/h11-13,15H,8-10,14H2,1-7H3,(H,29,31).
What are the key properties of tert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate?
tert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate has a molecular weight of 472.37 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]piperidin-3-yl]carbamate is sourced from PubChem (CID 67339679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).