3-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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

C43H26F4N10O2 — CID 123701302

IUPAC3-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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
SMILESCn1cc2c(-c3cc(F)c(Cn4cnc5cc(-c6ccn7c(-c8cc(F)c(Cn9cnc%10cnccc%10c9=O)c(F)c8)cnc7c6)cnc5c4=O)c(F)c3)cccc2n1
InChIInChI=1S/C43H26F4N10O2/c1-54-18-29-27(3-2-4-36(29)53-54)24-9-32(44)31(33(45)10-24)20-56-21-51-37-13-26(15-50-41(37)43(56)59)23-6-8-57-39(17-49-40(57)14-23)25-11-34(46)30(35(47)12-25)19-55-22-52-38-16-48-7-5-28(38)42(55)58/h2-18,21-22H,19-20H2,1H3
InChIKeyLJYGUWOWHYHTJG-UHFFFAOYSA-N
MW790.74 g/mol
LogP7.08
Rot. Bonds7

About 3-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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 123701302) has the molecular formula C43H26F4N10O2 and a molecular weight of 790.74 g/mol. Its IUPAC name is 3-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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 Name3-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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 CID123701302
Molecular FormulaC43H26F4N10O2
Molecular Weight790.74 g/mol
Exact Mass790.22
IUPAC Name3-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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
SMILESCn1cc2c(-c3cc(F)c(Cn4cnc5cc(-c6ccn7c(-c8cc(F)c(Cn9cnc%10cnccc%10c9=O)c(F)c8)cnc7c6)cnc5c4=O)c(F)c3)cccc2n1
InChIInChI=1S/C43H26F4N10O2/c1-54-18-29-27(3-2-4-36(29)53-54)24-9-32(44)31(33(45)10-24)20-56-21-51-37-13-26(15-50-41(37)43(56)59)23-6-8-57-39(17-49-40(57)14-23)25-11-34(46)30(35(47)12-25)19-55-22-52-38-16-48-7-5-28(38)42(55)58/h2-18,21-22H,19-20H2,1H3
InChIKeyLJYGUWOWHYHTJG-UHFFFAOYSA-N
XLogP7.08
TPSA130.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500790.74
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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 with MolForge

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Related Compounds

ABT-491 free base
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CID 10694900
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283192
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(pyridine-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283325
N-(5-((2-(2,2-Dimethylpyrrolidin-1-yl)ethyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283395
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283574
N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71291191
2-Fluoro-4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide
CID 137634498
2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide
CID 137639212
4-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]-2-fluoro-N-methylbenzamide
CID 137650862
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CID 137657796

Frequently Asked Questions

What is the IUPAC name of 3-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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 123701302) is 3-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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(-c3cc(F)c(Cn4cnc5cc(-c6ccn7c(-c8cc(F)c(Cn9cnc%10cnccc%10c9=O)c(F)c8)cnc7c6)cnc5c4=O)c(F)c3)cccc2n1.
What is the InChIKey of 3-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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 LJYGUWOWHYHTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26F4N10O2/c1-54-18-29-27(3-2-4-36(29)53-54)24-9-32(44)31(33(45)10-24)20-56-21-51-37-13-26(15-50-41(37)43(56)59)23-6-8-57-39(17-49-40(57)14-23)25-11-34(46)30(35(47)12-25)19-55-22-52-38-16-48-7-5-28(38)42(55)58/h2-18,21-22H,19-20H2,1H3.
What are the key properties of 3-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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 790.74 g/mol, XLogP of 7.08, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-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 123701302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).