3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one

C43H28F2N10O2 — CID 123640419

About 3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one

3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 123640419) has the molecular formula C43H28F2N10O2 and a molecular weight of 754.76 g/mol. Its IUPAC name is 3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one
• PubChem CID: 123640419
• Molecular Formula: C43H28F2N10O2
• Molecular Weight: 754.76 g/mol
• Exact Mass: 754.24
• IUPAC Name: 3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one
• SMILES: Cn1cc2c(-c3ccc(Cn4cnc5cc(-c6ccn7c(-c8ccc(Cn9cnc%10cnccc%10c9=O)c(F)c8)cnc7c6)cnc5c4=O)c(F)c3)cccc2n1
• InChI: InChI=1S/C43H28F2N10O2/c1-52-22-33-31(3-2-4-36(33)51-52)26-5-7-28(34(44)13-26)21-54-23-49-37-15-30(17-48-41(37)43(54)57)25-10-12-55-39(19-47-40(55)16-25)27-6-8-29(35(45)14-27)20-53-24-50-38-18-46-11-9-32(38)42(53)56/h2-19,22-24H,20-21H2,1H3
• InChIKey: CDIUKKUXFHEQID-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 130.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	754.76
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one?

The IUPAC name of 3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one (CID 123640419) is 3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one?

The canonical SMILES for 3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one is Cn1cc2c(-c3ccc(Cn4cnc5cc(-c6ccn7c(-c8ccc(Cn9cnc%10cnccc%10c9=O)c(F)c8)cnc7c6)cnc5c4=O)c(F)c3)cccc2n1.

What is the InChIKey of 3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one?

The InChIKey is CDIUKKUXFHEQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28F2N10O2/c1-52-22-33-31(3-2-4-36(33)51-52)26-5-7-28(34(44)13-26)21-54-23-49-37-15-30(17-48-41(37)43(54)57)25-10-12-55-39(19-47-40(55)16-25)27-6-8-29(35(45)14-27)20-53-24-50-38-18-46-11-9-32(38)42(53)56/h2-19,22-24H,20-21H2,1H3.

What are the key properties of 3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one?

3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 754.76 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 123640419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).