6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one

C52H52F2N14O10 — CID 158713493

About 6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one

6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one (PubChem CID 158713493) has the molecular formula C52H52F2N14O10 and a molecular weight of 1071.07 g/mol. Its IUPAC name is 6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

• Compound Name: 6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one
• PubChem CID: 158713493
• Molecular Formula: C52H52F2N14O10
• Molecular Weight: 1071.07 g/mol
• Exact Mass: 1070.40
• IUPAC Name: 6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one
• SMILES: CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3CCOC(=O)Nc3[nH]c(=O)ncc3F)c2)c(O)cc1O.Cc1cc(O)c(-c2n[nH]c(=O)n2-c2ccc3c(ccn3CCO)c2)cc1C(C)C.Nc1[nH]c(=O)ncc1F
• InChI: InChI=1S/C26H24FN7O6.C22H24N4O3.C4H4FN3O/c1-13(2)16-10-17(21(36)11-20(16)35)23-31-32-25(38)34(23)15-3-4-19-14(9-15)5-6-33(19)7-8-40-26(39)30-22-18(27)12-28-24(37)29-22;1-13(2)17-12-18(20(28)10-14(17)3)21-23-24-22(29)26(21)16-4-5-19-15(11-16)6-7-25(19)8-9-27;5-2-1-7-4(9)8-3(2)6/h3-6,9-13,35-36H,7-8H2,1-2H3,(H,32,38)(H2,28,29,30,37,39);4-7,10-13,27-28H,8-9H2,1-3H3,(H,24,29);1H,(H3,6,7,8,9)
• InChIKey: IJADBRRQUMLKOV-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 347.99 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1071.07
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one?

The IUPAC name of 6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one (CID 158713493) is 6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one.

What is the SMILES notation for 6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one?

The canonical SMILES for 6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one is CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3CCOC(=O)Nc3[nH]c(=O)ncc3F)c2)c(O)cc1O.Cc1cc(O)c(-c2n[nH]c(=O)n2-c2ccc3c(ccn3CCO)c2)cc1C(C)C.Nc1[nH]c(=O)ncc1F.

What is the InChIKey of 6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one?

The InChIKey is IJADBRRQUMLKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O6.C22H24N4O3.C4H4FN3O/c1-13(2)16-10-17(21(36)11-20(16)35)23-31-32-25(38)34(23)15-3-4-19-14(9-15)5-6-33(19)7-8-40-26(39)30-22-18(27)12-28-24(37)29-22;1-13(2)17-12-18(20(28)10-14(17)3)21-23-24-22(29)26(21)16-4-5-19-15(11-16)6-7-25(19)8-9-27;5-2-1-7-4(9)8-3(2)6/h3-6,9-13,35-36H,7-8H2,1-2H3,(H,32,38)(H2,28,29,30,37,39);4-7,10-13,27-28H,8-9H2,1-3H3,(H,24,29);1H,(H3,6,7,8,9).

What are the key properties of 6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one?

6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one has a molecular weight of 1071.07 g/mol, XLogP of 5.99, 12 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-5-fluoro-1H-pyrimidin-2-one;2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate;4-[1-(2-hydroxyethyl)indol-5-yl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 158713493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).