N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C136H154Cl4F12N26O5 — CID 158998067

About N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 158998067) has the molecular formula C136H154Cl4F12N26O5 and a molecular weight of 2602.69 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• PubChem CID: 158998067
• Molecular Formula: C136H154Cl4F12N26O5
• Molecular Weight: 2602.69 g/mol
• Exact Mass: 2599.12
• IUPAC Name: N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• SMILES: CC(C)(C)c1ccc(Nc2ncc(CCN3CCCC3)c3c2CCN(c2ccccc2C(F)(F)F)C3)cc1.CC(C)c1ccc(Nc2nc(OCCN(C)C)cc3c2CCN(c2ccccc2Cl)C3)cn1.CN1CCN(CCOc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ccccc2Cl)C3)CC1.FC(F)(F)c1ccc(Nc2nc(OCCN3CCNCC3)nc3c2CCN(c2ccccc2Cl)C3)cc1.FC(F)(F)c1ccc(Nc2nc(OCCN3CCOCC3)nc3c2CCN(c2ccccc2Cl)C3)cc1
• InChI: InChI=1S/C31H37F3N4.C27H30ClF3N6O.C26H28ClF3N6O.C26H27ClF3N5O2.C26H32ClN5O/c1-30(2,3)23-10-12-24(13-11-23)36-29-25-15-19-38(28-9-5-4-8-27(28)31(32,33)34)21-26(25)22(20-35-29)14-18-37-16-6-7-17-37;1-35-12-14-36(15-13-35)16-17-38-26-33-23-18-37(24-5-3-2-4-22(24)28)11-10-21(23)25(34-26)32-20-8-6-19(7-9-20)27(29,30)31;27-21-3-1-2-4-23(21)36-12-9-20-22(17-36)33-25(37-16-15-35-13-10-31-11-14-35)34-24(20)32-19-7-5-18(6-8-19)26(28,29)30;27-21-3-1-2-4-23(21)35-10-9-20-22(17-35)32-25(37-16-13-34-11-14-36-15-12-34)33-24(20)31-19-7-5-18(6-8-19)26(28,29)30;1-18(2)23-10-9-20(16-28-23)29-26-21-11-12-32(24-8-6-5-7-22(24)27)17-19(21)15-25(30-26)33-14-13-31(3)4/h4-5,8-13,20H,6-7,14-19,21H2,1-3H3,(H,35,36);2-9H,10-18H2,1H3,(H,32,33,34);1-8,31H,9-17H2,(H,32,33,34);1-8H,9-17H2,(H,31,32,33);5-10,15-16,18H,11-14,17H2,1-4H3,(H,29,30)
• InChIKey: JQZMZEWYHRLIJH-UHFFFAOYSA-N
• XLogP: 27.83
• TPSA: 269.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2602.69
LogP ≤ 5	27.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The IUPAC name of N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 158998067) is N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The canonical SMILES for N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CC(C)(C)c1ccc(Nc2ncc(CCN3CCCC3)c3c2CCN(c2ccccc2C(F)(F)F)C3)cc1.CC(C)c1ccc(Nc2nc(OCCN(C)C)cc3c2CCN(c2ccccc2Cl)C3)cn1.CN1CCN(CCOc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ccccc2Cl)C3)CC1.FC(F)(F)c1ccc(Nc2nc(OCCN3CCNCC3)nc3c2CCN(c2ccccc2Cl)C3)cc1.FC(F)(F)c1ccc(Nc2nc(OCCN3CCOCC3)nc3c2CCN(c2ccccc2Cl)C3)cc1.

What is the InChIKey of N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The InChIKey is JQZMZEWYHRLIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F3N4.C27H30ClF3N6O.C26H28ClF3N6O.C26H27ClF3N5O2.C26H32ClN5O/c1-30(2,3)23-10-12-24(13-11-23)36-29-25-15-19-38(28-9-5-4-8-27(28)31(32,33)34)21-26(25)22(20-35-29)14-18-37-16-6-7-17-37;1-35-12-14-36(15-13-35)16-17-38-26-33-23-18-37(24-5-3-2-4-22(24)28)11-10-21(23)25(34-26)32-20-8-6-19(7-9-20)27(29,30)31;27-21-3-1-2-4-23(21)36-12-9-20-22(17-36)33-25(37-16-15-35-13-10-31-11-14-35)34-24(20)32-19-7-5-18(6-8-19)26(28,29)30;27-21-3-1-2-4-23(21)35-10-9-20-22(17-35)32-25(37-16-13-34-11-14-36-15-12-34)33-24(20)31-19-7-5-18(6-8-19)26(28,29)30;1-18(2)23-10-9-20(16-28-23)29-26-21-11-12-32(24-8-6-5-7-22(24)27)17-19(21)15-25(30-26)33-14-13-31(3)4/h4-5,8-13,20H,6-7,14-19,21H2,1-3H3,(H,35,36);2-9H,10-18H2,1H3,(H,32,33,34);1-8,31H,9-17H2,(H,32,33,34);1-8H,9-17H2,(H,31,32,33);5-10,15-16,18H,11-14,17H2,1-4H3,(H,29,30).

What are the key properties of N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 2602.69 g/mol, XLogP of 27.83, 35 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158998067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).