2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one

C41H39F3N12O2 — CID 159502553

IUPAC2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc2n1.O=c1cc(-c2ccc3nc(C(F)(F)F)cn3c2)nc2ccc(N3CCNCC3)cn12
InChIInChI=1S/C21H22N6O.C20H17F3N6O/c1-2-16-13-26-12-15(3-5-19(26)23-16)18-11-21(28)27-14-17(4-6-20(27)24-18)25-9-7-22-8-10-25;21-20(22,23)16-12-28-10-13(1-3-17(28)26-16)15-9-19(30)29-11-14(2-4-18(29)25-15)27-7-5-24-6-8-27/h3-6,11-14,22H,2,7-10H2,1H3;1-4,9-12,24H,5-8H2
InChIKeyLZONQXLCLBHQDR-UHFFFAOYSA-N
MW788.84 g/mol
LogP4.42
Rot. Bonds5

About 2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one

2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 159502553) has the molecular formula C41H39F3N12O2 and a molecular weight of 788.84 g/mol. Its IUPAC name is 2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID159502553
Molecular FormulaC41H39F3N12O2
Molecular Weight788.84 g/mol
Exact Mass788.33
IUPAC Name2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc2n1.O=c1cc(-c2ccc3nc(C(F)(F)F)cn3c2)nc2ccc(N3CCNCC3)cn12
InChIInChI=1S/C21H22N6O.C20H17F3N6O/c1-2-16-13-26-12-15(3-5-19(26)23-16)18-11-21(28)27-14-17(4-6-20(27)24-18)25-9-7-22-8-10-25;21-20(22,23)16-12-28-10-13(1-3-17(28)26-16)15-9-19(30)29-11-14(2-4-18(29)25-15)27-7-5-24-6-8-27/h3-6,11-14,22H,2,7-10H2,1H3;1-4,9-12,24H,5-8H2
InChIKeyLZONQXLCLBHQDR-UHFFFAOYSA-N
XLogP4.42
TPSA133.88 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.84
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (CID 159502553) is 2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one is CCc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc2n1.O=c1cc(-c2ccc3nc(C(F)(F)F)cn3c2)nc2ccc(N3CCNCC3)cn12.
What is the InChIKey of 2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LZONQXLCLBHQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O.C20H17F3N6O/c1-2-16-13-26-12-15(3-5-19(26)23-16)18-11-21(28)27-14-17(4-6-20(27)24-18)25-9-7-22-8-10-25;21-20(22,23)16-12-28-10-13(1-3-17(28)26-16)15-9-19(30)29-11-14(2-4-18(29)25-15)27-7-5-24-6-8-27/h3-6,11-14,22H,2,7-10H2,1H3;1-4,9-12,24H,5-8H2.
What are the key properties of 2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 788.84 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 159502553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).