bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C129H162Cl2N46O17 — CID 161477597

About bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 161477597) has the molecular formula C129H162Cl2N46O17 and a molecular weight of 2699.93 g/mol. Its IUPAC name is bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

• Compound Name: bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
• PubChem CID: 161477597
• Molecular Formula: C129H162Cl2N46O17
• Molecular Weight: 2699.93 g/mol
• Exact Mass: 2697.26
• IUPAC Name: bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
• SMILES: CCN1CCC2(CC1)NC(=O)c1c(C)cc(Nc3ncnc(N)c3C)c(=O)n12.CCN1CCC2(CC1)NC(=O)c1c(C)cc(Nc3ncnc(N)c3Cl)c(=O)n12.CCN1CCC2(CC1)NC(=O)c1c(C)cc(Nc3ncnc(N)c3Cl)c(=O)n12.CCN1CCC2(CC1)NC(=O)c1c(C)cc(Nc3ncnc(N)c3OC)c(=O)n12.CCN1CCC2(CC1)NC(=O)c1c(C)cc(Nc3ncnc(N)c3OC)c(=O)n12.CCOc1cncnc1Nc1cc(C)c2n(c1=O)C1(CCCCC1)NC2=O.Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCN(C)C1
• InChI: InChI=1S/2C19H25N7O3.C19H25N7O2.C19H23N5O3.2C18H22ClN7O2.C17H20N6O2/c2*1-4-25-7-5-19(6-8-25)24-17(27)13-11(2)9-12(18(28)26(13)19)23-16-14(29-3)15(20)21-10-22-16;1-4-25-7-5-19(6-8-25)24-17(27)14-11(2)9-13(18(28)26(14)19)23-16-12(3)15(20)21-10-22-16;1-3-27-14-10-20-11-21-16(14)22-13-9-12(2)15-17(25)23-19(24(15)18(13)26)7-5-4-6-8-19;2*1-3-25-6-4-18(5-7-25)24-16(27)13-10(2)8-11(17(28)26(13)18)23-15-12(19)14(20)21-9-22-15;1-11-8-12(20-13-4-6-18-10-19-13)16(25)23-14(11)15(24)21-17(23)5-3-7-22(2)9-17/h2*9-10H,4-8H2,1-3H3,(H,24,27)(H3,20,21,22,23);9-10H,4-8H2,1-3H3,(H,24,27)(H3,20,21,22,23);9-11H,3-8H2,1-2H3,(H,23,25)(H,20,21,22);2*8-9H,3-7H2,1-2H3,(H,24,27)(H3,20,21,22,23);4,6,8,10H,3,5,7,9H2,1-2H3,(H,21,24)(H,18,19,20)
• InChIKey: WDXOQKOEIZGTRW-UHFFFAOYSA-N
• XLogP: 8.82
• TPSA: 799.60 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 56
• Rotatable Bonds: 23
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2699.93
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

The IUPAC name of bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 161477597) is bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

What is the SMILES notation for bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

The canonical SMILES for bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is CCN1CCC2(CC1)NC(=O)c1c(C)cc(Nc3ncnc(N)c3C)c(=O)n12.CCN1CCC2(CC1)NC(=O)c1c(C)cc(Nc3ncnc(N)c3Cl)c(=O)n12.CCN1CCC2(CC1)NC(=O)c1c(C)cc(Nc3ncnc(N)c3Cl)c(=O)n12.CCN1CCC2(CC1)NC(=O)c1c(C)cc(Nc3ncnc(N)c3OC)c(=O)n12.CCN1CCC2(CC1)NC(=O)c1c(C)cc(Nc3ncnc(N)c3OC)c(=O)n12.CCOc1cncnc1Nc1cc(C)c2n(c1=O)C1(CCCCC1)NC2=O.Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCN(C)C1.

What is the InChIKey of bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

The InChIKey is WDXOQKOEIZGTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H25N7O3.C19H25N7O2.C19H23N5O3.2C18H22ClN7O2.C17H20N6O2/c2*1-4-25-7-5-19(6-8-25)24-17(27)13-11(2)9-12(18(28)26(13)19)23-16-14(29-3)15(20)21-10-22-16;1-4-25-7-5-19(6-8-25)24-17(27)14-11(2)9-13(18(28)26(14)19)23-16-12(3)15(20)21-10-22-16;1-3-27-14-10-20-11-21-16(14)22-13-9-12(2)15-17(25)23-19(24(15)18(13)26)7-5-4-6-8-19;2*1-3-25-6-4-18(5-7-25)24-16(27)13-10(2)8-11(17(28)26(13)18)23-15-12(19)14(20)21-9-22-15;1-11-8-12(20-13-4-6-18-10-19-13)16(25)23-14(11)15(24)21-17(23)5-3-7-22(2)9-17/h2*9-10H,4-8H2,1-3H3,(H,24,27)(H3,20,21,22,23);9-10H,4-8H2,1-3H3,(H,24,27)(H3,20,21,22,23);9-11H,3-8H2,1-2H3,(H,23,25)(H,20,21,22);2*8-9H,3-7H2,1-2H3,(H,24,27)(H3,20,21,22,23);4,6,8,10H,3,5,7,9H2,1-2H3,(H,21,24)(H,18,19,20).

What are the key properties of bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 2699.93 g/mol, XLogP of 8.82, 23 rotatable bonds, 19 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);bis(6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione;6-[(5-ethoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 161477597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).