3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one

C24H17F3N4O2 — CID 165401292

IUPAC3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one
SMILESCc1c(-c2nc3cnc(-c4ccc(OC(F)(F)F)cc4)cn3c2C)[nH]c2ccccc2c1=O
InChIInChI=1S/C24H17F3N4O2/c1-13-21(29-18-6-4-3-5-17(18)23(13)32)22-14(2)31-12-19(28-11-20(31)30-22)15-7-9-16(10-8-15)33-24(25,26)27/h3-12H,1-2H3,(H,29,32)
InChIKeyNMTYTQSCKLEKMN-UHFFFAOYSA-N
MW450.42 g/mol
LogP5.42
Rot. Bonds3

About 3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one

3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one (PubChem CID 165401292) has the molecular formula C24H17F3N4O2 and a molecular weight of 450.42 g/mol. Its IUPAC name is 3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one
PubChem CID165401292
Molecular FormulaC24H17F3N4O2
Molecular Weight450.42 g/mol
Exact Mass450.13
IUPAC Name3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one
SMILESCc1c(-c2nc3cnc(-c4ccc(OC(F)(F)F)cc4)cn3c2C)[nH]c2ccccc2c1=O
InChIInChI=1S/C24H17F3N4O2/c1-13-21(29-18-6-4-3-5-17(18)23(13)32)22-14(2)31-12-19(28-11-20(31)30-22)15-7-9-16(10-8-15)33-24(25,26)27/h3-12H,1-2H3,(H,29,32)
InChIKeyNMTYTQSCKLEKMN-UHFFFAOYSA-N
XLogP5.42
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.42
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one (CID 165401292) is 3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one is Cc1c(-c2nc3cnc(-c4ccc(OC(F)(F)F)cc4)cn3c2C)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one?
The InChIKey is NMTYTQSCKLEKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O2/c1-13-21(29-18-6-4-3-5-17(18)23(13)32)22-14(2)31-12-19(28-11-20(31)30-22)15-7-9-16(10-8-15)33-24(25,26)27/h3-12H,1-2H3,(H,29,32).
What are the key properties of 3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one?
3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one has a molecular weight of 450.42 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one is sourced from PubChem (CID 165401292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).