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

C52H63BBrF3N10O8 — CID 157167246

IUPAC6-bromo-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol
SMILESCC1(C)OB(c2cncc(C3(O)CCOCC3)c2)OC1(C)C.Fc1ccnc2c1CCCN2.NC(=O)N1CCCc2c1ncc(-c1cncc(C3(O)CCOCC3)c1)c2F.NC(=O)N1CCCc2c1ncc(Br)c2F
InChIInChI=1S/C19H21FN4O3.C16H24BNO4.C9H9BrFN3O.C8H9FN2/c20-16-14-2-1-5-24(18(21)25)17(14)23-11-15(16)12-8-13(10-22-9-12)19(26)3-6-27-7-4-19;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;10-6-4-13-8-5(7(6)11)2-1-3-14(8)9(12)15;9-7-3-5-11-8-6(7)2-1-4-10-8/h8-11,26H,1-7H2,(H2,21,25);9-11,19H,5-8H2,1-4H3;4H,1-3H2,(H2,12,15);3,5H,1-2,4H2,(H,10,11)
InChIKeyANBFHMIWGPNYCF-UHFFFAOYSA-N
MW1103.85 g/mol
LogP6.88
Rot. Bonds4

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

6-bromo-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol (PubChem CID 157167246) has the molecular formula C52H63BBrF3N10O8 and a molecular weight of 1103.85 g/mol. Its IUPAC name is 6-bromo-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol.

Molecular Properties

Compound Name6-bromo-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol
PubChem CID157167246
Molecular FormulaC52H63BBrF3N10O8
Molecular Weight1103.85 g/mol
Exact Mass1102.41
IUPAC Name6-bromo-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol
SMILESCC1(C)OB(c2cncc(C3(O)CCOCC3)c2)OC1(C)C.Fc1ccnc2c1CCCN2.NC(=O)N1CCCc2c1ncc(-c1cncc(C3(O)CCOCC3)c1)c2F.NC(=O)N1CCCc2c1ncc(Br)c2F
InChIInChI=1S/C19H21FN4O3.C16H24BNO4.C9H9BrFN3O.C8H9FN2/c20-16-14-2-1-5-24(18(21)25)17(14)23-11-15(16)12-8-13(10-22-9-12)19(26)3-6-27-7-4-19;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;10-6-4-13-8-5(7(6)11)2-1-3-14(8)9(12)15;9-7-3-5-11-8-6(7)2-1-4-10-8/h8-11,26H,1-7H2,(H2,21,25);9-11,19H,5-8H2,1-4H3;4H,1-3H2,(H2,12,15);3,5H,1-2,4H2,(H,10,11)
InChIKeyANBFHMIWGPNYCF-UHFFFAOYSA-N
XLogP6.88
TPSA246.52 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001103.85
LogP ≤ 56.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-bromo-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol?
The IUPAC name of 6-bromo-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol (CID 157167246) is 6-bromo-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;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-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol?
The canonical SMILES for 6-bromo-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;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.Fc1ccnc2c1CCCN2.NC(=O)N1CCCc2c1ncc(-c1cncc(C3(O)CCOCC3)c1)c2F.NC(=O)N1CCCc2c1ncc(Br)c2F.
What is the InChIKey of 6-bromo-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol?
The InChIKey is ANBFHMIWGPNYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3.C16H24BNO4.C9H9BrFN3O.C8H9FN2/c20-16-14-2-1-5-24(18(21)25)17(14)23-11-15(16)12-8-13(10-22-9-12)19(26)3-6-27-7-4-19;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;10-6-4-13-8-5(7(6)11)2-1-3-14(8)9(12)15;9-7-3-5-11-8-6(7)2-1-4-10-8/h8-11,26H,1-7H2,(H2,21,25);9-11,19H,5-8H2,1-4H3;4H,1-3H2,(H2,12,15);3,5H,1-2,4H2,(H,10,11).
What are the key properties of 6-bromo-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol?
6-bromo-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol has a molecular weight of 1103.85 g/mol, XLogP of 6.88, 4 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-6-[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-fluoro-1,2,3,4-tetrahydro-1,8-naphthyridine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxan-4-ol is sourced from PubChem (CID 157167246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).