4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one

C44H28F4N10O2 — CID 123802901

IUPAC4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one
SMILESCn1cc2cc(-c3cc(F)c(Cn4c(=O)cnc5c(Cn6cc7c(-c8cc(F)c(Cn9c(=O)cnc%10cccnc%109)c(F)c8)cccc7n6)ccnc54)c(F)c3)ccc2n1
InChIInChI=1S/C44H28F4N10O2/c1-55-19-28-12-24(7-8-37(28)53-55)26-13-33(45)32(34(46)14-26)23-58-41(60)18-52-42-25(9-11-50-44(42)58)20-56-21-30-29(4-2-5-38(30)54-56)27-15-35(47)31(36(48)16-27)22-57-40(59)17-51-39-6-3-10-49-43(39)57/h2-19,21H,20,22-23H2,1H3
InChIKeyMUDVBYJQNIMTCH-UHFFFAOYSA-N
MW804.77 g/mol
LogP7.17
Rot. Bonds8

About 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one

4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 123802901) has the molecular formula C44H28F4N10O2 and a molecular weight of 804.77 g/mol. Its IUPAC name is 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-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 Name4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one
PubChem CID123802901
Molecular FormulaC44H28F4N10O2
Molecular Weight804.77 g/mol
Exact Mass804.23
IUPAC Name4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one
SMILESCn1cc2cc(-c3cc(F)c(Cn4c(=O)cnc5c(Cn6cc7c(-c8cc(F)c(Cn9c(=O)cnc%10cccnc%109)c(F)c8)cccc7n6)ccnc54)c(F)c3)ccc2n1
InChIInChI=1S/C44H28F4N10O2/c1-55-19-28-12-24(7-8-37(28)53-55)26-13-33(45)32(34(46)14-26)23-58-41(60)18-52-42-25(9-11-50-44(42)58)20-56-21-30-29(4-2-5-38(30)54-56)27-15-35(47)31(36(48)16-27)22-57-40(59)17-51-39-6-3-10-49-43(39)57/h2-19,21H,20,22-23H2,1H3
InChIKeyMUDVBYJQNIMTCH-UHFFFAOYSA-N
XLogP7.17
TPSA131.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500804.77
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-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-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one (CID 123802901) is 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-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-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-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-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one is Cn1cc2cc(-c3cc(F)c(Cn4c(=O)cnc5c(Cn6cc7c(-c8cc(F)c(Cn9c(=O)cnc%10cccnc%109)c(F)c8)cccc7n6)ccnc54)c(F)c3)ccc2n1.
What is the InChIKey of 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-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 MUDVBYJQNIMTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28F4N10O2/c1-55-19-28-12-24(7-8-37(28)53-55)26-13-33(45)32(34(46)14-26)23-58-41(60)18-52-42-25(9-11-50-44(42)58)20-56-21-30-29(4-2-5-38(30)54-56)27-15-35(47)31(36(48)16-27)22-57-40(59)17-51-39-6-3-10-49-43(39)57/h2-19,21H,20,22-23H2,1H3.
What are the key properties of 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[2,3-b]pyrazin-3-one?
4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-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 804.77 g/mol, XLogP of 7.17, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-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 123802901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).