8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C134H139Cl2FN26O18 — CID 163536755

About 8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 163536755) has the molecular formula C134H139Cl2FN26O18 and a molecular weight of 2492.66 g/mol. Its IUPAC name is 8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

• Compound Name: 8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
• PubChem CID: 163536755
• Molecular Formula: C134H139Cl2FN26O18
• Molecular Weight: 2492.66 g/mol
• Exact Mass: 2490.02
• IUPAC Name: 8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
• SMILES: COc1ccc(CN(c2ccncn2)c2cc(Cl)c3n(c2=O)C2(CCCCC2)N(Cc2ccc(OC)cc2)C3=O)cc1.COc1ccc(CN(c2ccncn2)c2cc(OC)c3n(c2=O)C2(CCCCC2)N(Cc2ccc(OC)cc2)C3=O)cc1.O=C1NC2(CCCCC2)n2c1c(C1CCO1)cc(Nc1ccncn1)c2=O.O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccncn1)c2=O.[2H]CF.[C-]#[N+]c1cc(N(Cc2ccc(OC)cc2)c2ccncn2)c(=O)n2c1C(=O)N(Cc1ccc(OC)cc1)C21CCCCC1
• InChI: InChI=1S/C33H32N6O4.C33H35N5O5.C32H32ClN5O4.C19H21N5O3.C16H16ClN5O2.CH3F/c1-34-27-19-28(37(29-15-18-35-22-36-29)20-23-7-11-25(42-2)12-8-23)31(40)39-30(27)32(41)38(33(39)16-5-4-6-17-33)21-24-9-13-26(43-3)14-10-24;1-41-25-11-7-23(8-12-25)20-36(29-15-18-34-22-35-29)27-19-28(43-3)30-32(40)37(21-24-9-13-26(42-2)14-10-24)33(38(30)31(27)39)16-5-4-6-17-33;1-41-24-10-6-22(7-11-24)19-36(28-14-17-34-21-35-28)27-18-26(33)29-31(40)37(20-23-8-12-25(42-2)13-9-23)32(38(29)30(27)39)15-4-3-5-16-32;25-17-16-12(14-5-9-27-14)10-13(22-15-4-8-20-11-21-15)18(26)24(16)19(23-17)6-2-1-3-7-19;17-10-8-11(20-12-4-7-18-9-19-12)15(24)22-13(10)14(23)21-16(22)5-2-1-3-6-16;1-2/h7-15,18-19,22H,4-6,16-17,20-21H2,2-3H3;7-15,18-19,22H,4-6,16-17,20-21H2,1-3H3;6-14,17-18,21H,3-5,15-16,19-20H2,1-2H3;4,8,10-11,14H,1-3,5-7,9H2,(H,23,25)(H,20,21,22);4,7-9H,1-3,5-6H2,(H,21,23)(H,18,19,20);1H3/i;;;;;1D
• InChIKey: DXQNAYHERWZSCA-WTMQMJMGSA-N
• XLogP: 22.20
• TPSA: 470.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 30
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2492.66
LogP ≤ 5	22.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

The IUPAC name of 8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 163536755) is 8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

What is the SMILES notation for 8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

The canonical SMILES for 8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is COc1ccc(CN(c2ccncn2)c2cc(Cl)c3n(c2=O)C2(CCCCC2)N(Cc2ccc(OC)cc2)C3=O)cc1.COc1ccc(CN(c2ccncn2)c2cc(OC)c3n(c2=O)C2(CCCCC2)N(Cc2ccc(OC)cc2)C3=O)cc1.O=C1NC2(CCCCC2)n2c1c(C1CCO1)cc(Nc1ccncn1)c2=O.O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccncn1)c2=O.[2H]CF.[C-]#[N+]c1cc(N(Cc2ccc(OC)cc2)c2ccncn2)c(=O)n2c1C(=O)N(Cc1ccc(OC)cc1)C21CCCCC1.

What is the InChIKey of 8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

The InChIKey is DXQNAYHERWZSCA-WTMQMJMGSA-N. The full InChI is InChI=1S/C33H32N6O4.C33H35N5O5.C32H32ClN5O4.C19H21N5O3.C16H16ClN5O2.CH3F/c1-34-27-19-28(37(29-15-18-35-22-36-29)20-23-7-11-25(42-2)12-8-23)31(40)39-30(27)32(41)38(33(39)16-5-4-6-17-33)21-24-9-13-26(43-3)14-10-24;1-41-25-11-7-23(8-12-25)20-36(29-15-18-34-22-35-29)27-19-28(43-3)30-32(40)37(21-24-9-13-26(42-2)14-10-24)33(38(30)31(27)39)16-5-4-6-17-33;1-41-24-10-6-22(7-11-24)19-36(28-14-17-34-21-35-28)27-18-26(33)29-31(40)37(20-23-8-12-25(42-2)13-9-23)32(38(29)30(27)39)15-4-3-5-16-32;25-17-16-12(14-5-9-27-14)10-13(22-15-4-8-20-11-21-15)18(26)24(16)19(23-17)6-2-1-3-7-19;17-10-8-11(20-12-4-7-18-9-19-12)15(24)22-13(10)14(23)21-16(22)5-2-1-3-6-16;1-2/h7-15,18-19,22H,4-6,16-17,20-21H2,2-3H3;7-15,18-19,22H,4-6,16-17,20-21H2,1-3H3;6-14,17-18,21H,3-5,15-16,19-20H2,1-2H3;4,8,10-11,14H,1-3,5-7,9H2,(H,23,25)(H,20,21,22);4,7-9H,1-3,5-6H2,(H,21,23)(H,18,19,20);1H3/i;;;;;1D.

What are the key properties of 8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 2492.66 g/mol, XLogP of 22.20, 30 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 163536755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).