N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide

C126H118Cl10N32O21 — CID 161338179

About N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide

N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide (PubChem CID 161338179) has the molecular formula C126H118Cl10N32O21 and a molecular weight of 2771.06 g/mol. Its IUPAC name is N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide
• PubChem CID: 161338179
• Molecular Formula: C126H118Cl10N32O21
• Molecular Weight: 2771.06 g/mol
• Exact Mass: 2764.60
• IUPAC Name: N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide
• SMILES: C=CC(=O)NC1CN(C(C)=O)CC1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)N[C@H]1CN(c2ccn(C)n2)C[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)Nc1cnccc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)Nc1nc(C)ccc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)Nc1nc(C)ccc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1
• InChI: InChI=1S/C27H28Cl2N8O4.C25H26Cl2N6O5.2C25H22Cl2N6O4.C24H20Cl2N6O4/c1-6-21(38)31-16-12-37(20-7-8-35(2)34-20)13-17(16)32-27-30-11-14-9-15(26(39)36(3)25(14)33-27)22-23(28)18(40-4)10-19(41-5)24(22)29;1-6-19(35)29-15-10-33(12(2)34)11-16(15)30-25-28-9-13-7-14(24(36)32(3)23(13)31-25)20-21(26)17(37-4)8-18(38-5)22(20)27;2*1-6-18(34)31-22-15(8-7-12(2)29-22)30-25-28-11-13-9-14(24(35)33(3)23(13)32-25)19-20(26)16(36-4)10-17(37-5)21(19)27;1-5-18(33)29-15-11-27-7-6-14(15)30-24-28-10-12-8-13(23(34)32(2)22(12)31-24)19-20(25)16(35-3)9-17(36-4)21(19)26/h6-11,16-17H,1,12-13H2,2-5H3,(H,31,38)(H,30,32,33);6-9,15-16H,1,10-11H2,2-5H3,(H,29,35)(H,28,30,31);2*6-11H,1H2,2-5H3,(H,28,30,32)(H,29,31,34);5-11H,1H2,2-4H3,(H,29,33)(H,27,28,30,31)/t16-,17+;;;;/m0..../s1
• InChIKey: VMHXEKBXPIRARU-OKRZSZEPSA-N
• XLogP: 20.02
• TPSA: 616.89 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 47
• Rotatable Bonds: 36
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2771.06
LogP ≤ 5	20.02
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide?

The IUPAC name of N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide (CID 161338179) is N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide.

What is the SMILES notation for N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide?

The canonical SMILES for N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide is C=CC(=O)NC1CN(C(C)=O)CC1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)N[C@H]1CN(c2ccn(C)n2)C[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)Nc1cnccc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)Nc1nc(C)ccc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)Nc1nc(C)ccc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.

What is the InChIKey of N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide?

The InChIKey is VMHXEKBXPIRARU-OKRZSZEPSA-N. The full InChI is InChI=1S/C27H28Cl2N8O4.C25H26Cl2N6O5.2C25H22Cl2N6O4.C24H20Cl2N6O4/c1-6-21(38)31-16-12-37(20-7-8-35(2)34-20)13-17(16)32-27-30-11-14-9-15(26(39)36(3)25(14)33-27)22-23(28)18(40-4)10-19(41-5)24(22)29;1-6-19(35)29-15-10-33(12(2)34)11-16(15)30-25-28-9-13-7-14(24(36)32(3)23(13)31-25)20-21(26)17(37-4)8-18(38-5)22(20)27;2*1-6-18(34)31-22-15(8-7-12(2)29-22)30-25-28-11-13-9-14(24(35)33(3)23(13)32-25)19-20(26)16(36-4)10-17(37-5)21(19)27;1-5-18(33)29-15-11-27-7-6-14(15)30-24-28-10-12-8-13(23(34)32(2)22(12)31-24)19-20(25)16(35-3)9-17(36-4)21(19)26/h6-11,16-17H,1,12-13H2,2-5H3,(H,31,38)(H,30,32,33);6-9,15-16H,1,10-11H2,2-5H3,(H,29,35)(H,28,30,31);2*6-11H,1H2,2-5H3,(H,28,30,32)(H,29,31,34);5-11H,1H2,2-4H3,(H,29,33)(H,27,28,30,31)/t16-,17+;;;;/m0..../s1.

What are the key properties of N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide?

N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide has a molecular weight of 2771.06 g/mol, XLogP of 20.02, 36 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-acetyl-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]prop-2-enamide;bis(N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]prop-2-enamide);N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 161338179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).