2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride

C87H99Cl8N33O12 — CID 160558458

About 2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride

2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride (PubChem CID 160558458) has the molecular formula C87H99Cl8N33O12 and a molecular weight of 2082.59 g/mol. Its IUPAC name is 2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride
• PubChem CID: 160558458
• Molecular Formula: C87H99Cl8N33O12
• Molecular Weight: 2082.59 g/mol
• Exact Mass: 2077.57
• IUPAC Name: 2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)NC1CN(c2ccn(C)n2)CC1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.CO.COc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)nc3n(C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(NC4CN(c5ccn(C)n5)CC4N)nc3n(C)c2=O)c1Cl.Cn1ccc(N2CC(N)C(N)C2)n1.Cn1ccc(N2CC(N=[N+]=[N-])C(N=[N+]=[N-])C2)n1
• InChI: InChI=1S/C27H28Cl2N8O4.C24H26Cl2N8O3.C16H12Cl3N3O3.C8H11N9.C8H15N5.C3H3ClO.CH4O/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;1-32-6-5-18(31-32)34-10-14(27)15(11-34)29-24-28-9-12-7-13(23(35)33(2)22(12)30-24)19-20(25)16(36-3)8-17(37-4)21(19)26;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;1-16-3-2-8(13-16)17-4-6(11-14-9)7(5-17)12-15-10;1-12-3-2-8(11-12)13-4-6(9)7(10)5-13;1-2-3(4)5;1-2/h6-11,16-17H,1,12-13H2,2-5H3,(H,31,38)(H,30,32,33);5-9,14-15H,10-11,27H2,1-4H3,(H,28,29,30);4-6H,1-3H3;2-3,6-7H,4-5H2,1H3;2-3,6-7H,4-5,9-10H2,1H3;2H,1H2;2H,1H3
• InChIKey: QYZNNJFBGIPJJY-UHFFFAOYSA-N
• XLogP: 10.72
• TPSA: 549.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2082.59
LogP ≤ 5	10.72
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride?

The IUPAC name of 2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride (CID 160558458) is 2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride.

What is the SMILES notation for 2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride?

The canonical SMILES for 2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)NC1CN(c2ccn(C)n2)CC1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.CO.COc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)nc3n(C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(NC4CN(c5ccn(C)n5)CC4N)nc3n(C)c2=O)c1Cl.Cn1ccc(N2CC(N)C(N)C2)n1.Cn1ccc(N2CC(N=[N+]=[N-])C(N=[N+]=[N-])C2)n1.

What is the InChIKey of 2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride?

The InChIKey is QYZNNJFBGIPJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N8O4.C24H26Cl2N8O3.C16H12Cl3N3O3.C8H11N9.C8H15N5.C3H3ClO.CH4O/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;1-32-6-5-18(31-32)34-10-14(27)15(11-34)29-24-28-9-12-7-13(23(35)33(2)22(12)30-24)19-20(25)16(36-3)8-17(37-4)21(19)26;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;1-16-3-2-8(13-16)17-4-6(11-14-9)7(5-17)12-15-10;1-12-3-2-8(11-12)13-4-6(9)7(10)5-13;1-2-3(4)5;1-2/h6-11,16-17H,1,12-13H2,2-5H3,(H,31,38)(H,30,32,33);5-9,14-15H,10-11,27H2,1-4H3,(H,28,29,30);4-6H,1-3H3;2-3,6-7H,4-5H2,1H3;2-3,6-7H,4-5,9-10H2,1H3;2H,1H2;2H,1H3.

What are the key properties of 2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride?

2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride has a molecular weight of 2082.59 g/mol, XLogP of 10.72, 22 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;3-(3,4-diazidopyrrolidin-1-yl)-1-methylpyrazole;N-[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;methanol;1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine;prop-2-enoyl chloride is sourced from PubChem (CID 160558458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).