N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide

C96H87Cl8N23O14 — CID 162014822

About N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide

N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide (PubChem CID 162014822) has the molecular formula C96H87Cl8N23O14 and a molecular weight of 2070.52 g/mol. Its IUPAC name is N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide
• PubChem CID: 162014822
• Molecular Formula: C96H87Cl8N23O14
• Molecular Weight: 2070.52 g/mol
• Exact Mass: 2065.43
• IUPAC Name: N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cn(C)cc1Nc1cc2cnc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)Nc1cn(C)cc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ncc2n1.C=CC(=O)Nc1cn(CCOC)cc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ncc2n1.C=CC(=O)Nc1cnn(CCOC)c1-c1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ncc2n1
• InChI: InChI=1S/C25H24Cl2N6O4.C24H22Cl2N6O4.C24H21Cl2N5O3.C23H20Cl2N6O3/c1-5-21(34)30-17-12-33(6-7-35-2)13-18(17)32-25-29-10-14-8-15(28-11-16(14)31-25)22-23(26)19(36-3)9-20(37-4)24(22)27;1-5-19(33)30-16-12-29-32(6-7-34-2)23(16)24-28-10-13-8-14(27-11-15(13)31-24)20-21(25)17(35-3)9-18(36-4)22(20)26;1-5-21(32)30-17-12-31(2)11-16(17)29-20-7-14-9-27-15(6-13(14)10-28-20)22-23(25)18(33-3)8-19(34-4)24(22)26;1-5-19(32)28-15-10-31(2)11-16(15)30-23-27-8-12-6-13(26-9-14(12)29-23)20-21(24)17(33-3)7-18(34-4)22(20)25/h5,8-13H,1,6-7H2,2-4H3,(H,30,34)(H,29,31,32);5,8-12H,1,6-7H2,2-4H3,(H,30,33);5-12H,1H2,2-4H3,(H,28,29)(H,30,32);5-11H,1H2,2-4H3,(H,28,32)(H,27,29,30)
• InChIKey: YTYRXDGKICXXBF-UHFFFAOYSA-N
• XLogP: 21.03
• TPSA: 419.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2070.52
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide?

The IUPAC name of N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide (CID 162014822) is N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide.

What is the SMILES notation for N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide?

The canonical SMILES for N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide is C=CC(=O)Nc1cn(C)cc1Nc1cc2cnc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)Nc1cn(C)cc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ncc2n1.C=CC(=O)Nc1cn(CCOC)cc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ncc2n1.C=CC(=O)Nc1cnn(CCOC)c1-c1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ncc2n1.

What is the InChIKey of N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide?

The InChIKey is YTYRXDGKICXXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6O4.C24H22Cl2N6O4.C24H21Cl2N5O3.C23H20Cl2N6O3/c1-5-21(34)30-17-12-33(6-7-35-2)13-18(17)32-25-29-10-14-8-15(28-11-16(14)31-25)22-23(26)19(36-3)9-20(37-4)24(22)27;1-5-19(33)30-16-12-29-32(6-7-34-2)23(16)24-28-10-13-8-14(27-11-15(13)31-24)20-21(25)17(35-3)9-18(36-4)22(20)26;1-5-21(32)30-17-12-31(2)11-16(17)29-20-7-14-9-27-15(6-13(14)10-28-20)22-23(25)18(33-3)8-19(34-4)24(22)26;1-5-19(32)28-15-10-31(2)11-16(15)30-23-27-8-12-6-13(26-9-14(12)29-23)20-21(24)17(33-3)7-18(34-4)22(20)25/h5,8-13H,1,6-7H2,2-4H3,(H,30,34)(H,29,31,32);5,8-12H,1,6-7H2,2-4H3,(H,30,33);5-12H,1H2,2-4H3,(H,28,29)(H,30,32);5-11H,1H2,2-4H3,(H,28,32)(H,27,29,30).

What are the key properties of N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide?

N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide has a molecular weight of 2070.52 g/mol, XLogP of 21.03, 33 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-(2-methoxyethyl)pyrrol-3-yl]prop-2-enamide;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrrol-3-yl]prop-2-enamide;N-[5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 162014822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).