6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride

C82H71Br2Cl5F4N20O13 — CID 159853680

About 6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride

6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride (PubChem CID 159853680) has the molecular formula C82H71Br2Cl5F4N20O13 and a molecular weight of 1957.66 g/mol. Its IUPAC name is 6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride.

Molecular Properties

• Compound Name: 6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride
• PubChem CID: 159853680
• Molecular Formula: C82H71Br2Cl5F4N20O13
• Molecular Weight: 1957.66 g/mol
• Exact Mass: 1952.23
• IUPAC Name: 6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride
• SMILES: CC(C)(C)OC(=O)Nc1cc(N)ncn1.CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCc4ccc(F)cc42)NC3=O)ncn1.Cl.NC(=O)c1[nH]c(=O)c(Br)cc1Cl.Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCc4ccc(F)cc42)NC3=O)ncn1.O=C1CCc2ccc(F)cc21.O=C1NC2(CCc3ccc(F)cc32)n2c1c(Cl)cc(Br)c2=O
• InChI: InChI=1S/C24H22ClFN6O4.C19H14ClFN6O2.C15H9BrClFN2O2.C9H7FO.C9H14N4O2.C6H4BrClN2O2.ClH/c1-23(2,3)36-22(35)30-18-10-17(27-11-28-18)29-16-9-15(25)19-20(33)31-24(32(19)21(16)34)7-6-12-4-5-13(26)8-14(12)24;20-12-6-13(25-15-7-14(22)23-8-24-15)18(29)27-16(12)17(28)26-19(27)4-3-9-1-2-10(21)5-11(9)19;16-10-6-11(17)12-13(21)19-15(20(12)14(10)22)4-3-7-1-2-8(18)5-9(7)15;10-7-3-1-6-2-4-9(11)8(6)5-7;1-9(2,3)15-8(14)13-7-4-6(10)11-5-12-7;7-2-1-3(8)4(5(9)11)10-6(2)12;/h4-5,8-11H,6-7H2,1-3H3,(H,31,33)(H2,27,28,29,30,35);1-2,5-8H,3-4H2,(H,26,28)(H3,22,23,24,25);1-2,5-6H,3-4H2,(H,19,21);1,3,5H,2,4H2;4-5H,1-3H3,(H3,10,11,12,13,14);1H,(H2,9,11)(H,10,12);1H
• InChIKey: AHDXCYYMTDFDIJ-UHFFFAOYSA-N
• XLogP: 13.53
• TPSA: 476.42 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 7
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1957.66
LogP ≤ 5	13.53
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride?

The IUPAC name of 6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride (CID 159853680) is 6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride.

What is the SMILES notation for 6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride?

The canonical SMILES for 6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride is CC(C)(C)OC(=O)Nc1cc(N)ncn1.CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCc4ccc(F)cc42)NC3=O)ncn1.Cl.NC(=O)c1[nH]c(=O)c(Br)cc1Cl.Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCc4ccc(F)cc42)NC3=O)ncn1.O=C1CCc2ccc(F)cc21.O=C1NC2(CCc3ccc(F)cc32)n2c1c(Cl)cc(Br)c2=O.

What is the InChIKey of 6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride?

The InChIKey is AHDXCYYMTDFDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6O4.C19H14ClFN6O2.C15H9BrClFN2O2.C9H7FO.C9H14N4O2.C6H4BrClN2O2.ClH/c1-23(2,3)36-22(35)30-18-10-17(27-11-28-18)29-16-9-15(25)19-20(33)31-24(32(19)21(16)34)7-6-12-4-5-13(26)8-14(12)24;20-12-6-13(25-15-7-14(22)23-8-24-15)18(29)27-16(12)17(28)26-19(27)4-3-9-1-2-10(21)5-11(9)19;16-10-6-11(17)12-13(21)19-15(20(12)14(10)22)4-3-7-1-2-8(18)5-9(7)15;10-7-3-1-6-2-4-9(11)8(6)5-7;1-9(2,3)15-8(14)13-7-4-6(10)11-5-12-7;7-2-1-3(8)4(5(9)11)10-6(2)12;/h4-5,8-11H,6-7H2,1-3H3,(H,31,33)(H2,27,28,29,30,35);1-2,5-8H,3-4H2,(H,26,28)(H3,22,23,24,25);1-2,5-6H,3-4H2,(H,19,21);1,3,5H,2,4H2;4-5H,1-3H3,(H3,10,11,12,13,14);1H,(H2,9,11)(H,10,12);1H.

What are the key properties of 6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride?

6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride has a molecular weight of 1957.66 g/mol, XLogP of 13.53, 7 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride is sourced from PubChem (CID 159853680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).