benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione)

C90H87Cl2N27O17 — CID 157081945

About benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione)

benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione) (PubChem CID 157081945) has the molecular formula C90H87Cl2N27O17 and a molecular weight of 1889.76 g/mol. Its IUPAC name is benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione).

Molecular Properties

• Compound Name: benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione)
• PubChem CID: 157081945
• Molecular Formula: C90H87Cl2N27O17
• Molecular Weight: 1889.76 g/mol
• Exact Mass: 1887.62
• IUPAC Name: benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione)
• SMILES: NC(=O)c1ccc(Cl)c(=O)[nH]1.Nc1ccncn1.O=C1CCN(C(=O)OCc2ccccc2)C1.O=C1NC2(CCN(C(=O)OCc3ccccc3)C2)n2c1ccc(Cl)c2=O.O=C1NC2(CCN(C(=O)OCc3ccccc3)C2)n2c1ccc(Nc1ccncn1)c2=O.O=C1NC2(CCNC2)n2c1ccc(Nc1ccncn1)c2=O.O=C1NC2(CCNC2)n2c1ccc(Nc1ccncn1)c2=O
• InChI: InChI=1S/C22H20N6O4.C18H16ClN3O4.2C14H14N6O2.C12H13NO3.C6H5ClN2O2.C4H5N3/c29-19-17-7-6-16(25-18-8-10-23-14-24-18)20(30)28(17)22(26-19)9-11-27(13-22)21(31)32-12-15-4-2-1-3-5-15;19-13-6-7-14-15(23)20-18(22(14)16(13)24)8-9-21(11-18)17(25)26-10-12-4-2-1-3-5-12;2*21-12-10-2-1-9(18-11-3-5-16-8-17-11)13(22)20(10)14(19-12)4-6-15-7-14;14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10;7-3-1-2-4(5(8)10)9-6(3)11;5-4-1-2-6-3-7-4/h1-8,10,14H,9,11-13H2,(H,26,29)(H,23,24,25);1-7H,8-11H2,(H,20,23);2*1-3,5,8,15H,4,6-7H2,(H,19,21)(H,16,17,18);1-5H,6-9H2;1-2H,(H2,8,10)(H,9,11);1-3H,(H2,5,6,7)
• InChIKey: ADQNFTWYSVKAEN-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 575.33 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 13
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1889.76
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione)?

The IUPAC name of benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione) (CID 157081945) is benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione).

What is the SMILES notation for benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione)?

The canonical SMILES for benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione) is NC(=O)c1ccc(Cl)c(=O)[nH]1.Nc1ccncn1.O=C1CCN(C(=O)OCc2ccccc2)C1.O=C1NC2(CCN(C(=O)OCc3ccccc3)C2)n2c1ccc(Cl)c2=O.O=C1NC2(CCN(C(=O)OCc3ccccc3)C2)n2c1ccc(Nc1ccncn1)c2=O.O=C1NC2(CCNC2)n2c1ccc(Nc1ccncn1)c2=O.O=C1NC2(CCNC2)n2c1ccc(Nc1ccncn1)c2=O.

What is the InChIKey of benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione)?

The InChIKey is ADQNFTWYSVKAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4.C18H16ClN3O4.2C14H14N6O2.C12H13NO3.C6H5ClN2O2.C4H5N3/c29-19-17-7-6-16(25-18-8-10-23-14-24-18)20(30)28(17)22(26-19)9-11-27(13-22)21(31)32-12-15-4-2-1-3-5-15;19-13-6-7-14-15(23)20-18(22(14)16(13)24)8-9-21(11-18)17(25)26-10-12-4-2-1-3-5-12;2*21-12-10-2-1-9(18-11-3-5-16-8-17-11)13(22)20(10)14(19-12)4-6-15-7-14;14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10;7-3-1-2-4(5(8)10)9-6(3)11;5-4-1-2-6-3-7-4/h1-8,10,14H,9,11-13H2,(H,26,29)(H,23,24,25);1-7H,8-11H2,(H,20,23);2*1-3,5,8,15H,4,6-7H2,(H,19,21)(H,16,17,18);1-5H,6-9H2;1-2H,(H2,8,10)(H,9,11);1-3H,(H2,5,6,7).

What are the key properties of benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione)?

benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione) has a molecular weight of 1889.76 g/mol, XLogP of 5.09, 13 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1'-carboxylate;benzyl 3-oxopyrrolidine-1-carboxylate;5-chloro-6-oxo-1H-pyridine-2-carboxamide;pyrimidin-4-amine;bis(6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione) is sourced from PubChem (CID 157081945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).