3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline

C22H18F3N5 — CID 57415142

IUPAC3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline
SMILESCc1ccc(C(F)(F)F)c2nc(CCc3nc4c5cccnc5ccc4n3C)cn12
InChIInChI=1S/C22H18F3N5/c1-13-5-7-16(22(23,24)25)21-27-14(12-30(13)21)6-10-19-28-20-15-4-3-11-26-17(15)8-9-18(20)29(19)2/h3-5,7-9,11-12H,6,10H2,1-2H3
InChIKeyQOVYJGKXRRPADS-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.88
Rot. Bonds3

About 3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline

3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline (PubChem CID 57415142) has the molecular formula C22H18F3N5 and a molecular weight of 409.42 g/mol. Its IUPAC name is 3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline.

Molecular Properties

Compound Name3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline
PubChem CID57415142
Molecular FormulaC22H18F3N5
Molecular Weight409.42 g/mol
Exact Mass409.15
IUPAC Name3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline
SMILESCc1ccc(C(F)(F)F)c2nc(CCc3nc4c5cccnc5ccc4n3C)cn12
InChIInChI=1S/C22H18F3N5/c1-13-5-7-16(22(23,24)25)21-27-14(12-30(13)21)6-10-19-28-20-15-4-3-11-26-17(15)8-9-18(20)29(19)2/h3-5,7-9,11-12H,6,10H2,1-2H3
InChIKeyQOVYJGKXRRPADS-UHFFFAOYSA-N
XLogP4.88
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline?
The IUPAC name of 3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline (CID 57415142) is 3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline.
What is the SMILES notation for 3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline?
The canonical SMILES for 3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline is Cc1ccc(C(F)(F)F)c2nc(CCc3nc4c5cccnc5ccc4n3C)cn12.
What is the InChIKey of 3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline?
The InChIKey is QOVYJGKXRRPADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5/c1-13-5-7-16(22(23,24)25)21-27-14(12-30(13)21)6-10-19-28-20-15-4-3-11-26-17(15)8-9-18(20)29(19)2/h3-5,7-9,11-12H,6,10H2,1-2H3.
What are the key properties of 3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline?
3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline has a molecular weight of 409.42 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline is sourced from PubChem (CID 57415142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).