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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine

C126H146Cl4F9N31O4 — CID 160908760

About 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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine

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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine (PubChem CID 160908760) has the molecular formula C126H146Cl4F9N31O4 and a molecular weight of 2471.56 g/mol. Its IUPAC name is 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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine
• PubChem CID: 160908760
• Molecular Formula: C126H146Cl4F9N31O4
• Molecular Weight: 2471.56 g/mol
• Exact Mass: 2468.08
• IUPAC Name: 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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-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.CC1Cc2c(Nc3ccc(C(F)(F)F)nc3)nc(OCCN3CCCC3)nc2C(C)N1c1nccnc1Cl.CCN(CC)c1ccc(Nc2ncnc3c2CC(C)N(c2ncccc2Cl)C3)cc1C.COCCNc1cc2c(c(Nc3ccc(OC(F)(F)F)cc3)n1)CCN(c1cnccc1Cl)C2
• InChI: InChI=1S/C30H36F3N5.C25H28ClF3N8O.C24H30ClN7O.C24H29ClN6.C23H23ClF3N5O2/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;1-15-13-18-20(16(2)37(15)23-21(26)30-7-8-31-23)34-24(38-12-11-36-9-3-4-10-36)35-22(18)33-17-5-6-19(32-14-17)25(27,28)29;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;1-5-30(6-2)22-10-9-18(12-16(22)3)29-23-19-13-17(4)31(14-21(19)27-15-28-23)24-20(25)8-7-11-26-24;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/h6-11,14,19H,4-5,12-13,15-18,20H2,1-3H3,(H,35,36);5-8,14-16H,3-4,9-13H2,1-2H3,(H,33,34,35);5-6,8-9,13-14,16H,7,10-12,15H2,1-4H3,(H,29,30);7-12,15,17H,5-6,13-14H2,1-4H3,(H,27,28,29);2-6,8,12-13H,7,9-11,14H2,1H3,(H2,29,30,31)
• InChIKey: SQMMSGVDRWXXQY-UHFFFAOYSA-N
• XLogP: 26.86
• TPSA: 344.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2471.56
LogP ≤ 5	26.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine?

The IUPAC name of 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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine (CID 160908760) is 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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine.

What is the SMILES notation for 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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine?

The canonical SMILES for 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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-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.CC1Cc2c(Nc3ccc(C(F)(F)F)nc3)nc(OCCN3CCCC3)nc2C(C)N1c1nccnc1Cl.CCN(CC)c1ccc(Nc2ncnc3c2CC(C)N(c2ncccc2Cl)C3)cc1C.COCCNc1cc2c(c(Nc3ccc(OC(F)(F)F)cc3)n1)CCN(c1cnccc1Cl)C2.

What is the InChIKey of 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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine?

The InChIKey is SQMMSGVDRWXXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N5.C25H28ClF3N8O.C24H30ClN7O.C24H29ClN6.C23H23ClF3N5O2/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;1-15-13-18-20(16(2)37(15)23-21(26)30-7-8-31-23)34-24(38-12-11-36-9-3-4-10-36)35-22(18)33-17-5-6-19(32-14-17)25(27,28)29;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;1-5-30(6-2)22-10-9-18(12-16(22)3)29-23-19-13-17(4)31(14-21(19)27-15-28-23)24-20(25)8-7-11-26-24;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/h6-11,14,19H,4-5,12-13,15-18,20H2,1-3H3,(H,35,36);5-8,14-16H,3-4,9-13H2,1-2H3,(H,33,34,35);5-6,8-9,13-14,16H,7,10-12,15H2,1-4H3,(H,29,30);7-12,15,17H,5-6,13-14H2,1-4H3,(H,27,28,29);2-6,8,12-13H,7,9-11,14H2,1H3,(H2,29,30,31).

What are the key properties of 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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine?

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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine has a molecular weight of 2471.56 g/mol, XLogP of 26.86, 35 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 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;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-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;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 160908760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).