1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one

C87H95F6N19O9 — CID 159969423

About 1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one

1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 159969423) has the molecular formula C87H95F6N19O9 and a molecular weight of 1664.83 g/mol. Its IUPAC name is 1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one
• PubChem CID: 159969423
• Molecular Formula: C87H95F6N19O9
• Molecular Weight: 1664.83 g/mol
• Exact Mass: 1663.75
• IUPAC Name: 1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCN(CCCc2cn3c(n2)c(-c2c(F)c(OC)cc(OC)c2F)cc2cnc(NC)cc23)CC1.C=CC(=O)N1CCN(CCCc2cn3c(n2)c(-c2c(F)c(OC)cc(OC)c2F)cc2cnc(NCC4CC4)cc23)CC1.C=CC(=O)N1CCN(Cc2cn3c(n2)c(-c2c(F)c(OC)cc(OC)c2F)cc2cnc(NC)nc23)CC1
• InChI: InChI=1S/C32H36F2N6O3.C29H32F2N6O3.C26H27F2N7O3/c1-4-28(41)39-12-10-38(11-13-39)9-5-6-22-19-40-24-15-27(35-17-20-7-8-20)36-18-21(24)14-23(32(40)37-22)29-30(33)25(42-2)16-26(43-3)31(29)34;1-5-25(38)36-11-9-35(10-12-36)8-6-7-19-17-37-21-14-24(32-2)33-16-18(21)13-20(29(37)34-19)26-27(30)22(39-3)15-23(40-4)28(26)31;1-5-20(36)34-8-6-33(7-9-34)13-16-14-35-24-15(12-30-26(29-2)32-24)10-17(25(35)31-16)21-22(27)18(37-3)11-19(38-4)23(21)28/h4,14-16,18-20H,1,5-13,17H2,2-3H3,(H,35,36);5,13-17H,1,6-12H2,2-4H3,(H,32,33);5,10-12,14H,1,6-9,13H2,2-4H3,(H,29,30,32)
• InChIKey: OEITVNVVOIJJCA-UHFFFAOYSA-N
• XLogP: 12.19
• TPSA: 265.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1664.83
LogP ≤ 5	12.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one (CID 159969423) is 1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(CCCc2cn3c(n2)c(-c2c(F)c(OC)cc(OC)c2F)cc2cnc(NC)cc23)CC1.C=CC(=O)N1CCN(CCCc2cn3c(n2)c(-c2c(F)c(OC)cc(OC)c2F)cc2cnc(NCC4CC4)cc23)CC1.C=CC(=O)N1CCN(Cc2cn3c(n2)c(-c2c(F)c(OC)cc(OC)c2F)cc2cnc(NC)nc23)CC1.

What is the InChIKey of 1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one?

The InChIKey is OEITVNVVOIJJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F2N6O3.C29H32F2N6O3.C26H27F2N7O3/c1-4-28(41)39-12-10-38(11-13-39)9-5-6-22-19-40-24-15-27(35-17-20-7-8-20)36-18-21(24)14-23(32(40)37-22)29-30(33)25(42-2)16-26(43-3)31(29)34;1-5-25(38)36-11-9-35(10-12-36)8-6-7-19-17-37-21-14-24(32-2)33-16-18(21)13-20(29(37)34-19)26-27(30)22(39-3)15-23(40-4)28(26)31;1-5-20(36)34-8-6-33(7-9-34)13-16-14-35-24-15(12-30-26(29-2)32-24)10-17(25(35)31-16)21-22(27)18(37-3)11-19(38-4)23(21)28/h4,14-16,18-20H,1,5-13,17H2,2-3H3,(H,35,36);5,13-17H,1,6-12H2,2-4H3,(H,32,33);5,10-12,14H,1,6-9,13H2,2-4H3,(H,29,30,32).

What are the key properties of 1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one?

1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 1664.83 g/mol, XLogP of 12.19, 27 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[8-(cyclopropylmethylamino)-4-(2,6-difluoro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[3-[4-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;1-[4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-12-(methylamino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 159969423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).