6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol

C73H94BBrN12O9 — CID 158029933

About 6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol

6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol (PubChem CID 158029933) has the molecular formula C73H94BBrN12O9 and a molecular weight of 1374.35 g/mol. Its IUPAC name is 6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol.

Molecular Properties

• Compound Name: 6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol
• PubChem CID: 158029933
• Molecular Formula: C73H94BBrN12O9
• Molecular Weight: 1374.35 g/mol
• Exact Mass: 1372.65
• IUPAC Name: 6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol
• SMILES: CC1(C)OB(c2cncc(C3(O)CCOCC3)c2)OC1(C)C.Cc1ccc2c(n1)NCCC2.Cc1nc2c(cc1-c1cncc(C3(O)CCOCC3)c1)CCCN2.Cc1nc2c(cc1-c1cncc(C3(O)CCOCC3)c1)CCCN2C(N)=O.Cc1nc2c(cc1Br)CCCN2
• InChI: InChI=1S/C20H24N4O3.C19H23N3O2.C16H24BNO4.C9H11BrN2.C9H12N2/c1-13-17(10-14-3-2-6-24(19(21)25)18(14)23-13)15-9-16(12-22-11-15)20(26)4-7-27-8-5-20;1-13-17(10-14-3-2-6-21-18(14)22-13)15-9-16(12-20-11-15)19(23)4-7-24-8-5-19;1-14(2)15(3,4)22-17(21-14)13-9-12(10-18-11-13)16(19)5-7-20-8-6-16;1-6-8(10)5-7-3-2-4-11-9(7)12-6;1-7-4-5-8-3-2-6-10-9(8)11-7/h9-12,26H,2-8H2,1H3,(H2,21,25);9-12,23H,2-8H2,1H3,(H,21,22);9-11,19H,5-8H2,1-4H3;5H,2-4H2,1H3,(H,11,12);4-5H,2-3,6H2,1H3,(H,10,11)
• InChIKey: FHBDQXJISAFRTR-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 279.49 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1374.35
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol?

The IUPAC name of 6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol (CID 158029933) is 6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol.

What is the SMILES notation for 6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol?

The canonical SMILES for 6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol is CC1(C)OB(c2cncc(C3(O)CCOCC3)c2)OC1(C)C.Cc1ccc2c(n1)NCCC2.Cc1nc2c(cc1-c1cncc(C3(O)CCOCC3)c1)CCCN2.Cc1nc2c(cc1-c1cncc(C3(O)CCOCC3)c1)CCCN2C(N)=O.Cc1nc2c(cc1Br)CCCN2.

What is the InChIKey of 6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol?

The InChIKey is FHBDQXJISAFRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3.C19H23N3O2.C16H24BNO4.C9H11BrN2.C9H12N2/c1-13-17(10-14-3-2-6-24(19(21)25)18(14)23-13)15-9-16(12-22-11-15)20(26)4-7-27-8-5-20;1-13-17(10-14-3-2-6-21-18(14)22-13)15-9-16(12-20-11-15)19(23)4-7-24-8-5-19;1-14(2)15(3,4)22-17(21-14)13-9-12(10-18-11-13)16(19)5-7-20-8-6-16;1-6-8(10)5-7-3-2-4-11-9(7)12-6;1-7-4-5-8-3-2-6-10-9(8)11-7/h9-12,26H,2-8H2,1H3,(H2,21,25);9-12,23H,2-8H2,1H3,(H,21,22);9-11,19H,5-8H2,1-4H3;5H,2-4H2,1H3,(H,11,12);4-5H,2-3,6H2,1H3,(H,10,11).

What are the key properties of 6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol?

6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol has a molecular weight of 1374.35 g/mol, XLogP of 10.73, 6 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxan-4-ol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol is sourced from PubChem (CID 158029933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).