6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C80H73ClF6N24O9 — CID 157136868

About 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 157136868) has the molecular formula C80H73ClF6N24O9 and a molecular weight of 1664.06 g/mol. Its IUPAC name is 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

• Compound Name: 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
• PubChem CID: 157136868
• Molecular Formula: C80H73ClF6N24O9
• Molecular Weight: 1664.06 g/mol
• Exact Mass: 1662.56
• IUPAC Name: 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
• SMILES: CC(C)N1CCn2c(CN)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(CNc3nc(-c4[nH]nc5ncc(F)cc45)ncc3F)cc(=O)c(O)c2C1=O.CC(C)N1CCn2c(CNc3nc(-c4[nH]nc5ncc(F)cc45)ncc3F)cc(=O)c(OCc3ccccc3)c2C1=O.Fc1cnc2n[nH]c(-c3ncc(F)c(Cl)n3)c2c1
• InChI: InChI=1S/C29H26F2N8O3.C22H20F2N8O3.C19H23N3O3.C10H4ClF2N5/c1-16(2)38-8-9-39-19(11-22(40)25(24(39)29(38)41)42-15-17-6-4-3-5-7-17)13-33-27-21(31)14-34-28(35-27)23-20-10-18(30)12-32-26(20)37-36-23;1-10(2)31-3-4-32-12(6-15(33)18(34)17(32)22(31)35)8-26-20-14(24)9-27-21(28-20)16-13-5-11(23)7-25-19(13)30-29-16;1-13(2)21-8-9-22-15(11-20)10-16(23)18(17(22)19(21)24)25-12-14-6-4-3-5-7-14;11-8-6(13)3-15-10(16-8)7-5-1-4(12)2-14-9(5)18-17-7/h3-7,10-12,14,16H,8-9,13,15H2,1-2H3,(H,32,36,37)(H,33,34,35);5-7,9-10,34H,3-4,8H2,1-2H3,(H,25,29,30)(H,26,27,28);3-7,10,13H,8-9,11-12,20H2,1-2H3;1-3H,(H,14,17,18)
• InChIKey: AJSMEMDFGWVHOO-UHFFFAOYSA-N
• XLogP: 10.04
• TPSA: 417.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1664.06
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

The IUPAC name of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 157136868) is 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

What is the SMILES notation for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

The canonical SMILES for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is CC(C)N1CCn2c(CN)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(CNc3nc(-c4[nH]nc5ncc(F)cc45)ncc3F)cc(=O)c(O)c2C1=O.CC(C)N1CCn2c(CNc3nc(-c4[nH]nc5ncc(F)cc45)ncc3F)cc(=O)c(OCc3ccccc3)c2C1=O.Fc1cnc2n[nH]c(-c3ncc(F)c(Cl)n3)c2c1.

What is the InChIKey of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

The InChIKey is AJSMEMDFGWVHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N8O3.C22H20F2N8O3.C19H23N3O3.C10H4ClF2N5/c1-16(2)38-8-9-39-19(11-22(40)25(24(39)29(38)41)42-15-17-6-4-3-5-7-17)13-33-27-21(31)14-34-28(35-27)23-20-10-18(30)12-32-26(20)37-36-23;1-10(2)31-3-4-32-12(6-15(33)18(34)17(32)22(31)35)8-26-20-14(24)9-27-21(28-20)16-13-5-11(23)7-25-19(13)30-29-16;1-13(2)21-8-9-22-15(11-20)10-16(23)18(17(22)19(21)24)25-12-14-6-4-3-5-7-14;11-8-6(13)3-15-10(16-8)7-5-1-4(12)2-14-9(5)18-17-7/h3-7,10-12,14,16H,8-9,13,15H2,1-2H3,(H,32,36,37)(H,33,34,35);5-7,9-10,34H,3-4,8H2,1-2H3,(H,25,29,30)(H,26,27,28);3-7,10,13H,8-9,11-12,20H2,1-2H3;1-3H,(H,14,17,18).

What are the key properties of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 1664.06 g/mol, XLogP of 10.04, 19 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 157136868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).