4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one

C44H30F2N10O2 — CID 123983938

About 4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one

4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 123983938) has the molecular formula C44H30F2N10O2 and a molecular weight of 768.79 g/mol. Its IUPAC name is 4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

• Compound Name: 4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one
• PubChem CID: 123983938
• Molecular Formula: C44H30F2N10O2
• Molecular Weight: 768.79 g/mol
• Exact Mass: 768.25
• IUPAC Name: 4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one
• SMILES: Cn1cc2cc(-c3ccc(Cn4c(=O)cnc5c(Cn6cc7c(-c8ccc(Cn9c(=O)cnc%10cccnc%109)c(F)c8)cccc7n6)ccnc54)c(F)c3)ccc2n1
• InChI: InChI=1S/C44H30F2N10O2/c1-53-21-32-16-26(11-12-37(32)51-53)27-7-9-29(35(45)17-27)24-56-41(58)20-50-42-31(13-15-48-44(42)56)22-54-25-34-33(4-2-5-38(34)52-54)28-8-10-30(36(46)18-28)23-55-40(57)19-49-39-6-3-14-47-43(39)55/h2-21,25H,22-24H2,1H3
• InChIKey: HLWCCWVBRJPGQA-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 131.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	768.79
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one?

The IUPAC name of 4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one (CID 123983938) is 4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one.

What is the SMILES notation for 4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one?

The canonical SMILES for 4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one is Cn1cc2cc(-c3ccc(Cn4c(=O)cnc5c(Cn6cc7c(-c8ccc(Cn9c(=O)cnc%10cccnc%109)c(F)c8)cccc7n6)ccnc54)c(F)c3)ccc2n1.

What is the InChIKey of 4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one?

The InChIKey is HLWCCWVBRJPGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30F2N10O2/c1-53-21-32-16-26(11-12-37(32)51-53)27-7-9-29(35(45)17-27)24-56-41(58)20-50-42-31(13-15-48-44(42)56)22-54-25-34-33(4-2-5-38(34)52-54)28-8-10-30(36(46)18-28)23-55-40(57)19-49-39-6-3-14-47-43(39)55/h2-21,25H,22-24H2,1H3.

What are the key properties of 4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one?

4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 768.79 g/mol, XLogP of 6.89, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3-fluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 123983938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).