3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine

C24H23ClF3N5O — CID 134600618

IUPAC3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1c(C(C)c2nc(C)c3c(N)nccn23)cc(Cl)c(C)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H23ClF3N5O/c1-5-34-21-16(12(2)23-32-14(4)20-22(29)30-8-9-33(20)23)10-17(25)13(3)19(21)15-6-7-18(31-11-15)24(26,27)28/h6-12H,5H2,1-4H3,(H2,29,30)
InChIKeyZOQJOWOMNAGBGU-UHFFFAOYSA-N
MW489.93 g/mol
LogP6.21
Rot. Bonds5

About 3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine

3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 134600618) has the molecular formula C24H23ClF3N5O and a molecular weight of 489.93 g/mol. Its IUPAC name is 3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
PubChem CID134600618
Molecular FormulaC24H23ClF3N5O
Molecular Weight489.93 g/mol
Exact Mass489.15
IUPAC Name3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1c(C(C)c2nc(C)c3c(N)nccn23)cc(Cl)c(C)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H23ClF3N5O/c1-5-34-21-16(12(2)23-32-14(4)20-22(29)30-8-9-33(20)23)10-17(25)13(3)19(21)15-6-7-18(31-11-15)24(26,27)28/h6-12H,5H2,1-4H3,(H2,29,30)
InChIKeyZOQJOWOMNAGBGU-UHFFFAOYSA-N
XLogP6.21
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.93
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine (CID 134600618) is 3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine is CCOc1c(C(C)c2nc(C)c3c(N)nccn23)cc(Cl)c(C)c1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is ZOQJOWOMNAGBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N5O/c1-5-34-21-16(12(2)23-32-14(4)20-22(29)30-8-9-33(20)23)10-17(25)13(3)19(21)15-6-7-18(31-11-15)24(26,27)28/h6-12H,5H2,1-4H3,(H2,29,30).
What are the key properties of 3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine?
3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 489.93 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 134600618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).