7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine

C69H104B2Br2Cl4N14O4 — CID 158200245

About 7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine

7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine (PubChem CID 158200245) has the molecular formula C69H104B2Br2Cl4N14O4 and a molecular weight of 1516.93 g/mol. Its IUPAC name is 7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine
• PubChem CID: 158200245
• Molecular Formula: C69H104B2Br2Cl4N14O4
• Molecular Weight: 1516.93 g/mol
• Exact Mass: 1512.57
• IUPAC Name: 7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine
• SMILES: C1CCNCC1.CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(CCCN3CCCCC3)c2)OC1(C)C.ClCCCBr.ClCCCN1CCCCC1.Clc1ccc2ncc(-c3cnn(CCCN4CCCCC4)c3)cc2n1.Clc1ccc2ncc(Br)cc2n1
• InChI: InChI=1S/C19H22ClN5.C17H30BN3O2.C9H15BN2O2.C8H4BrClN2.C8H16ClN.C5H11N.C3H6BrCl/c20-19-6-5-17-18(23-19)11-15(12-21-17)16-13-22-25(14-16)10-4-9-24-7-2-1-3-8-24;1-16(2)17(3,4)23-18(22-16)15-13-19-21(14-15)12-8-11-20-9-6-5-7-10-20;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;9-5-3-7-6(11-4-5)1-2-8(10)12-7;9-5-4-8-10-6-2-1-3-7-10;1-2-4-6-5-3-1;4-2-1-3-5/h5-6,11-14H,1-4,7-10H2;13-14H,5-12H2,1-4H3;5-6H,1-4H3,(H,11,12);1-4H;1-8H2;6H,1-5H2;1-3H2
• InChIKey: GAVMQOKKKGIXQW-UHFFFAOYSA-N
• XLogP: 14.71
• TPSA: 174.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1516.93
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine?

The IUPAC name of 7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine (CID 158200245) is 7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine.

What is the SMILES notation for 7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine?

The canonical SMILES for 7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine is C1CCNCC1.CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(CCCN3CCCCC3)c2)OC1(C)C.ClCCCBr.ClCCCN1CCCCC1.Clc1ccc2ncc(-c3cnn(CCCN4CCCCC4)c3)cc2n1.Clc1ccc2ncc(Br)cc2n1.

What is the InChIKey of 7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine?

The InChIKey is GAVMQOKKKGIXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5.C17H30BN3O2.C9H15BN2O2.C8H4BrClN2.C8H16ClN.C5H11N.C3H6BrCl/c20-19-6-5-17-18(23-19)11-15(12-21-17)16-13-22-25(14-16)10-4-9-24-7-2-1-3-8-24;1-16(2)17(3,4)23-18(22-16)15-13-19-21(14-15)12-8-11-20-9-6-5-7-10-20;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;9-5-3-7-6(11-4-5)1-2-8(10)12-7;9-5-4-8-10-6-2-1-3-7-10;1-2-4-6-5-3-1;4-2-1-3-5/h5-6,11-14H,1-4,7-10H2;13-14H,5-12H2,1-4H3;5-6H,1-4H3,(H,11,12);1-4H;1-8H2;6H,1-5H2;1-3H2.

What are the key properties of 7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine?

7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine has a molecular weight of 1516.93 g/mol, XLogP of 14.71, 16 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-chloro-1,5-naphthyridine;1-bromo-3-chloropropane;2-chloro-7-[1-(3-piperidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-(3-chloropropyl)piperidine;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine is sourced from PubChem (CID 158200245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).