tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid

C112H129Cl11F3N25O23 — CID 161049970

About tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid

tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid (PubChem CID 161049970) has the molecular formula C112H129Cl11F3N25O23 and a molecular weight of 2640.39 g/mol. Its IUPAC name is tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid
• PubChem CID: 161049970
• Molecular Formula: C112H129Cl11F3N25O23
• Molecular Weight: 2640.39 g/mol
• Exact Mass: 2633.62
• IUPAC Name: tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid
• SMILES: C.C=CC(=O)Cl.C=CC(=O)NC1CN(C(=O)OC(C)(C)C)CC1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)NC1CNCC1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.CC(C)(C)OC(=O)N1CC(N)C(N)C1.COc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)nc3n(C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(NC4CN(C(=O)OC(C)(C)C)CC4N)nc3n(C)c2=O)c1Cl.Clc1ccccn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C28H32Cl2N6O6.C25H30Cl2N6O5.C23H24Cl2N6O4.C16H12Cl3N3O3.C9H19N3O2.C5H4ClN.C3H3ClO.C2HF3O2.CH4/c1-8-20(37)32-16-12-36(27(39)42-28(2,3)4)13-17(16)33-26-31-11-14-9-15(25(38)35(5)24(14)34-26)21-22(29)18(40-6)10-19(41-7)23(21)30;1-25(2,3)38-24(35)33-10-14(28)15(11-33)30-23-29-9-12-7-13(22(34)32(4)21(12)31-23)18-19(26)16(36-5)8-17(37-6)20(18)27;1-5-17(32)28-13-9-26-10-14(13)29-23-27-8-11-6-12(22(33)31(2)21(11)30-23)18-19(24)15(34-3)7-16(35-4)20(18)25;1-22-14-7(6-20-16(19)21-14)4-8(15(22)23)11-12(17)9(24-2)5-10(25-3)13(11)18;1-9(2,3)14-8(13)12-4-6(10)7(11)5-12;6-5-3-1-2-4-7-5;1-2-3(4)5;3-2(4,5)1(6)7;/h8-11,16-17H,1,12-13H2,2-7H3,(H,32,37)(H,31,33,34);7-9,14-15H,10-11,28H2,1-6H3,(H,29,30,31);5-8,13-14,26H,1,9-10H2,2-4H3,(H,28,32)(H,27,29,30);4-6H,1-3H3;6-7H,4-5,10-11H2,1-3H3;1-4H;2H,1H2;(H,6,7);1H4
• InChIKey: PYTWKFCAFDGSIT-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 605.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 23
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2640.39
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid?

The IUPAC name of tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid (CID 161049970) is tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid.

What is the SMILES notation for tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid?

The canonical SMILES for tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid is C.C=CC(=O)Cl.C=CC(=O)NC1CN(C(=O)OC(C)(C)C)CC1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)NC1CNCC1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.CC(C)(C)OC(=O)N1CC(N)C(N)C1.COc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)nc3n(C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(NC4CN(C(=O)OC(C)(C)C)CC4N)nc3n(C)c2=O)c1Cl.Clc1ccccn1.O=C(O)C(F)(F)F.

What is the InChIKey of tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid?

The InChIKey is PYTWKFCAFDGSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N6O6.C25H30Cl2N6O5.C23H24Cl2N6O4.C16H12Cl3N3O3.C9H19N3O2.C5H4ClN.C3H3ClO.C2HF3O2.CH4/c1-8-20(37)32-16-12-36(27(39)42-28(2,3)4)13-17(16)33-26-31-11-14-9-15(25(38)35(5)24(14)34-26)21-22(29)18(40-6)10-19(41-7)23(21)30;1-25(2,3)38-24(35)33-10-14(28)15(11-33)30-23-29-9-12-7-13(22(34)32(4)21(12)31-23)18-19(26)16(36-5)8-17(37-6)20(18)27;1-5-17(32)28-13-9-26-10-14(13)29-23-27-8-11-6-12(22(33)31(2)21(11)30-23)18-19(24)15(34-3)7-16(35-4)20(18)25;1-22-14-7(6-20-16(19)21-14)4-8(15(22)23)11-12(17)9(24-2)5-10(25-3)13(11)18;1-9(2,3)14-8(13)12-4-6(10)7(11)5-12;6-5-3-1-2-4-7-5;1-2-3(4)5;3-2(4,5)1(6)7;/h8-11,16-17H,1,12-13H2,2-7H3,(H,32,37)(H,31,33,34);7-9,14-15H,10-11,28H2,1-6H3,(H,29,30,31);5-8,13-14,26H,1,9-10H2,2-4H3,(H,28,32)(H,27,29,30);4-6H,1-3H3;6-7H,4-5,10-11H2,1-3H3;1-4H;2H,1H2;(H,6,7);1H4.

What are the key properties of tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid?

tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid has a molecular weight of 2640.39 g/mol, XLogP of 17.88, 23 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate;tert-butyl 3,4-diaminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(prop-2-enoylamino)pyrrolidine-1-carboxylate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloropyridine;N-[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;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161049970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).