4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C108H122B3Cl4IN32O6 — CID 159589520

About 4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 159589520) has the molecular formula C108H122B3Cl4IN32O6 and a molecular weight of 2265.53 g/mol. Its IUPAC name is 4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 159589520
• Molecular Formula: C108H122B3Cl4IN32O6
• Molecular Weight: 2265.53 g/mol
• Exact Mass: 2262.83
• IUPAC Name: 4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: C.C.CC1(C)OB(c2ccn[nH]2)OC1(C)C.CI.Clc1cc(Cl)c2cccnc2n1.Cn1ccc(-c2cc(Cl)c3cccnc3n2)n1.Cn1ccc(-c2cc(Nc3ccncc3)c3cccnc3n2)n1.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1.Cn1nccc1-c1cc(Cl)c2cccnc2n1.Cn1nccc1-c1cc(Nc2ccncc2)c2cccnc2n1.Cn1nccc1B1OC(C)(C)C(C)(C)O1.Nc1ccncc1.Nc1ccncc1
• InChI: InChI=1S/2C17H14N6.2C12H9ClN4.2C10H17BN2O2.C9H15BN2O2.C8H4Cl2N2.2C5H6N2.CH3I.2CH4/c1-23-16(6-10-20-23)15-11-14(21-12-4-8-18-9-5-12)13-3-2-7-19-17(13)22-15;1-23-10-6-14(22-23)16-11-15(20-12-4-8-18-9-5-12)13-3-2-7-19-17(13)21-16;1-17-11(4-6-15-17)10-7-9(13)8-3-2-5-14-12(8)16-10;1-17-6-4-10(16-17)11-7-9(13)8-3-2-5-14-12(8)15-11;1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8;1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;9-6-4-7(10)12-8-5(6)2-1-3-11-8;2*6-5-1-3-7-4-2-5;1-2;;/h2-11H,1H3,(H,18,19,21,22);2-11H,1H3,(H,18,19,20,21);2*2-7H,1H3;2*6-7H,1-5H3;5-6H,1-4H3,(H,11,12);1-4H;2*1-4H,(H2,6,7);1H3;2*1H4
• InChIKey: MKBCCKUWARMMOZ-UHFFFAOYSA-N
• XLogP: 20.44
• TPSA: 447.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 11
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2265.53
LogP ≤ 5	20.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of 4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 159589520) is 4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for 4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for 4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is C.C.CC1(C)OB(c2ccn[nH]2)OC1(C)C.CI.Clc1cc(Cl)c2cccnc2n1.Cn1ccc(-c2cc(Cl)c3cccnc3n2)n1.Cn1ccc(-c2cc(Nc3ccncc3)c3cccnc3n2)n1.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1.Cn1nccc1-c1cc(Cl)c2cccnc2n1.Cn1nccc1-c1cc(Nc2ccncc2)c2cccnc2n1.Cn1nccc1B1OC(C)(C)C(C)(C)O1.Nc1ccncc1.Nc1ccncc1.

What is the InChIKey of 4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is MKBCCKUWARMMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14N6.2C12H9ClN4.2C10H17BN2O2.C9H15BN2O2.C8H4Cl2N2.2C5H6N2.CH3I.2CH4/c1-23-16(6-10-20-23)15-11-14(21-12-4-8-18-9-5-12)13-3-2-7-19-17(13)22-15;1-23-10-6-14(22-23)16-11-15(20-12-4-8-18-9-5-12)13-3-2-7-19-17(13)21-16;1-17-11(4-6-15-17)10-7-9(13)8-3-2-5-14-12(8)16-10;1-17-6-4-10(16-17)11-7-9(13)8-3-2-5-14-12(8)15-11;1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8;1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;9-6-4-7(10)12-8-5(6)2-1-3-11-8;2*6-5-1-3-7-4-2-5;1-2;;/h2-11H,1H3,(H,18,19,21,22);2-11H,1H3,(H,18,19,20,21);2*2-7H,1H3;2*6-7H,1-5H3;5-6H,1-4H3,(H,11,12);1-4H;2*1-4H,(H2,6,7);1H3;2*1H4.

What are the key properties of 4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 2265.53 g/mol, XLogP of 20.44, 11 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-(1-methylpyrazol-3-yl)-1,8-naphthyridine;4-chloro-2-(2-methylpyrazol-3-yl)-1,8-naphthyridine;2,4-dichloro-1,8-naphthyridine;iodomethane;methane;2-(1-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-methylpyrazol-3-yl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(pyridin-4-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 159589520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).