N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide

C84H79Cl6N19O9 — CID 163507384

About N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide

N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide (PubChem CID 163507384) has the molecular formula C84H79Cl6N19O9 and a molecular weight of 1711.40 g/mol. Its IUPAC name is N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide
• PubChem CID: 163507384
• Molecular Formula: C84H79Cl6N19O9
• Molecular Weight: 1711.40 g/mol
• Exact Mass: 1707.44
• IUPAC Name: N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide
• SMILES: C=CC(=O)N1CCN(CCCc2cn3c(n2)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC)cc23)CC1.C=CC(=O)Nc1cc(Cc2cn3c(n2)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC)cc23)ccn1.C=CC(=O)Nc1cc(Cc2cn3c(n2)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC)nc23)ccn1
• InChI: InChI=1S/C29H32Cl2N6O3.C28H24Cl2N6O3.C27H23Cl2N7O3/c1-5-25(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;1-5-24(37)35-23-9-15(6-7-32-23)8-17-14-36-19-11-22(31-2)33-13-16(19)10-18(28(36)34-17)25-26(29)20(38-3)12-21(39-4)27(25)30;1-5-21(37)34-20-9-14(6-7-31-20)8-16-13-36-25-15(12-32-27(30-2)35-25)10-17(26(36)33-16)22-23(28)18(38-3)11-19(39-4)24(22)29/h5,13-17H,1,6-12H2,2-4H3,(H,32,33);5-7,9-14H,1,8H2,2-4H3,(H,31,33)(H,32,35,37);5-7,9-13H,1,8H2,2-4H3,(H,30,32,35)(H,31,34,37)
• InChIKey: CZRIZMIALMZWNV-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 302.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1711.40
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	5
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 N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide?

The IUPAC name of N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide (CID 163507384) is N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide.

What is the SMILES notation for N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide?

The canonical SMILES for N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide is C=CC(=O)N1CCN(CCCc2cn3c(n2)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC)cc23)CC1.C=CC(=O)Nc1cc(Cc2cn3c(n2)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC)cc23)ccn1.C=CC(=O)Nc1cc(Cc2cn3c(n2)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC)nc23)ccn1.

What is the InChIKey of N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide?

The InChIKey is CZRIZMIALMZWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N6O3.C28H24Cl2N6O3.C27H23Cl2N7O3/c1-5-25(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;1-5-24(37)35-23-9-15(6-7-32-23)8-17-14-36-19-11-22(31-2)33-13-16(19)10-18(28(36)34-17)25-26(29)20(38-3)12-21(39-4)27(25)30;1-5-21(37)34-20-9-14(6-7-31-20)8-16-13-36-25-15(12-32-27(30-2)35-25)10-17(26(36)33-16)22-23(28)18(38-3)11-19(39-4)24(22)29/h5,13-17H,1,6-12H2,2-4H3,(H,32,33);5-7,9-14H,1,8H2,2-4H3,(H,31,33)(H,32,35,37);5-7,9-13H,1,8H2,2-4H3,(H,30,32,35)(H,31,34,37).

What are the key properties of N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide?

N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide has a molecular weight of 1711.40 g/mol, XLogP of 16.62, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]methyl]-2-pyridinyl]prop-2-enamide;1-[4-[3-[4-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-2-yl]propyl]piperazin-1-yl]prop-2-en-1-one;N-[4-[[7-(2,6-dichloro-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]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 163507384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).