8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine

C71H93BrF4N16O10 — CID 158837249

About 8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine

8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine (PubChem CID 158837249) has the molecular formula C71H93BrF4N16O10 and a molecular weight of 1486.52 g/mol. Its IUPAC name is 8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine.

Molecular Properties

• Compound Name: 8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine
• PubChem CID: 158837249
• Molecular Formula: C71H93BrF4N16O10
• Molecular Weight: 1486.52 g/mol
• Exact Mass: 1484.64
• IUPAC Name: 8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine
• SMILES: CC(C)(C)OC(=O)NC1CCNCC1.COc1ccc2ncc(F)c(Br)c2n1.COc1ccc2ncc(F)c(N3CCC(N)CC3)c2n1.COc1ccc2ncc(F)c(N3CCC(NC(=O)OC(C)(C)C)CC3)c2n1.COc1ccc2ncc(F)c(N3CCC(NC(=O)OC(C)(C)C)CC3)c2n1
• InChI: InChI=1S/2C19H25FN4O3.C14H17FN4O.C10H20N2O2.C9H6BrFN2O/c2*1-19(2,3)27-18(25)22-12-7-9-24(10-8-12)17-13(20)11-21-14-5-6-15(26-4)23-16(14)17;1-20-12-3-2-11-13(18-12)14(10(15)8-17-11)19-6-4-9(16)5-7-19;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;1-14-7-3-2-6-9(13-7)8(10)5(11)4-12-6/h2*5-6,11-12H,7-10H2,1-4H3,(H,22,25);2-3,8-9H,4-7,16H2,1H3;8,11H,4-7H2,1-3H3,(H,12,13);2-4H,1H3
• InChIKey: IXUFTTAQFRDAOU-UHFFFAOYSA-N
• XLogP: 12.05
• TPSA: 302.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1486.52
LogP ≤ 5	12.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine?

The IUPAC name of 8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine (CID 158837249) is 8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine.

What is the SMILES notation for 8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine?

The canonical SMILES for 8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine is CC(C)(C)OC(=O)NC1CCNCC1.COc1ccc2ncc(F)c(Br)c2n1.COc1ccc2ncc(F)c(N3CCC(N)CC3)c2n1.COc1ccc2ncc(F)c(N3CCC(NC(=O)OC(C)(C)C)CC3)c2n1.COc1ccc2ncc(F)c(N3CCC(NC(=O)OC(C)(C)C)CC3)c2n1.

What is the InChIKey of 8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine?

The InChIKey is IXUFTTAQFRDAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H25FN4O3.C14H17FN4O.C10H20N2O2.C9H6BrFN2O/c2*1-19(2,3)27-18(25)22-12-7-9-24(10-8-12)17-13(20)11-21-14-5-6-15(26-4)23-16(14)17;1-20-12-3-2-11-13(18-12)14(10(15)8-17-11)19-6-4-9(16)5-7-19;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;1-14-7-3-2-6-9(13-7)8(10)5(11)4-12-6/h2*5-6,11-12H,7-10H2,1-4H3,(H,22,25);2-3,8-9H,4-7,16H2,1H3;8,11H,4-7H2,1-3H3,(H,12,13);2-4H,1H3.

What are the key properties of 8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine?

8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine has a molecular weight of 1486.52 g/mol, XLogP of 12.05, 10 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine is sourced from PubChem (CID 158837249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).