N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine

C123H140BrCl3F9N31O3 — CID 161142894

About N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine

N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine (PubChem CID 161142894) has the molecular formula C123H140BrCl3F9N31O3 and a molecular weight of 2457.93 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine.

Molecular Properties

• Compound Name: N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine
• PubChem CID: 161142894
• Molecular Formula: C123H140BrCl3F9N31O3
• Molecular Weight: 2457.93 g/mol
• Exact Mass: 2453.99
• IUPAC Name: N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine
• SMILES: CC(C)(C)c1ccc(Nc2ncc(CCN3CCCC3)c3c2CCN(c2ncccc2C(F)(F)F)C3)cc1.CC(C)c1ccc(Nc2nc(OCCN(C)C)cc3c2CCN(c2nccnc2Cl)C3)cn1.CC1c2cc(CCN3CCNCC3)nc(Nc3ccc(Br)nc3)c2CCN1c1cnccc1Cl.COCCNc1cc2c(c(Nc3ccc(OC(F)(F)F)cc3)n1)CCN(c1cnccc1Cl)C2.Cc1nccnc1N1CCc2c(cc(N(C)C)nc2Nc2ccc(C(F)(F)F)nc2)C1
• InChI: InChI=1S/C30H36F3N5.C25H29BrClN7.C24H30ClN7O.C23H23ClF3N5O2.C21H22F3N7/c1-29(2,3)22-8-10-23(11-9-22)36-27-24-13-18-38(28-26(30(31,32)33)7-6-14-34-28)20-25(24)21(19-35-27)12-17-37-15-4-5-16-37;1-17-21-14-18(5-10-33-12-8-28-9-13-33)31-25(32-19-2-3-24(26)30-15-19)20(21)6-11-34(17)23-16-29-7-4-22(23)27;1-16(2)20-6-5-18(14-28-20)29-23-19-7-10-32(24-22(25)26-8-9-27-24)15-17(19)13-21(30-23)33-12-11-31(3)4;1-33-11-9-29-21-12-15-14-32(20-13-28-8-6-19(20)24)10-7-18(15)22(31-21)30-16-2-4-17(5-3-16)34-23(25,26)27;1-13-20(26-8-7-25-13)31-9-6-16-14(12-31)10-18(30(2)3)29-19(16)28-15-4-5-17(27-11-15)21(22,23)24/h6-11,14,19H,4-5,12-13,15-18,20H2,1-3H3,(H,35,36);2-4,7,14-17,28H,5-6,8-13H2,1H3,(H,31,32);5-6,8-9,13-14,16H,7,10-12,15H2,1-4H3,(H,29,30);2-6,8,12-13H,7,9-11,14H2,1H3,(H2,29,30,31);4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,28,29)
• InChIKey: UNRHBUPSCRFROR-UHFFFAOYSA-N
• XLogP: 24.99
• TPSA: 334.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2457.93
LogP ≤ 5	24.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine?

The IUPAC name of N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine (CID 161142894) is N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine.

What is the SMILES notation for N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine?

The canonical SMILES for N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine is CC(C)(C)c1ccc(Nc2ncc(CCN3CCCC3)c3c2CCN(c2ncccc2C(F)(F)F)C3)cc1.CC(C)c1ccc(Nc2nc(OCCN(C)C)cc3c2CCN(c2nccnc2Cl)C3)cn1.CC1c2cc(CCN3CCNCC3)nc(Nc3ccc(Br)nc3)c2CCN1c1cnccc1Cl.COCCNc1cc2c(c(Nc3ccc(OC(F)(F)F)cc3)n1)CCN(c1cnccc1Cl)C2.Cc1nccnc1N1CCc2c(cc(N(C)C)nc2Nc2ccc(C(F)(F)F)nc2)C1.

What is the InChIKey of N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine?

The InChIKey is UNRHBUPSCRFROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N5.C25H29BrClN7.C24H30ClN7O.C23H23ClF3N5O2.C21H22F3N7/c1-29(2,3)22-8-10-23(11-9-22)36-27-24-13-18-38(28-26(30(31,32)33)7-6-14-34-28)20-25(24)21(19-35-27)12-17-37-15-4-5-16-37;1-17-21-14-18(5-10-33-12-8-28-9-13-33)31-25(32-19-2-3-24(26)30-15-19)20(21)6-11-34(17)23-16-29-7-4-22(23)27;1-16(2)20-6-5-18(14-28-20)29-23-19-7-10-32(24-22(25)26-8-9-27-24)15-17(19)13-21(30-23)33-12-11-31(3)4;1-33-11-9-29-21-12-15-14-32(20-13-28-8-6-19(20)24)10-7-18(15)22(31-21)30-16-2-4-17(5-3-16)34-23(25,26)27;1-13-20(26-8-7-25-13)31-9-6-16-14(12-31)10-18(30(2)3)29-19(16)28-15-4-5-17(27-11-15)21(22,23)24/h6-11,14,19H,4-5,12-13,15-18,20H2,1-3H3,(H,35,36);2-4,7,14-17,28H,5-6,8-13H2,1H3,(H,31,32);5-6,8-9,13-14,16H,7,10-12,15H2,1-4H3,(H,29,30);2-6,8,12-13H,7,9-11,14H2,1H3,(H2,29,30,31);4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,28,29).

What are the key properties of N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine?

N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine has a molecular weight of 2457.93 g/mol, XLogP of 24.99, 32 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloropyrazin-2-yl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(4-chloro-3-pyridinyl)-3-N-(2-methoxyethyl)-1-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine;3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine is sourced from PubChem (CID 161142894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).