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

C23H19Cl2F4N5O2 — CID 134600601

IUPAC1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1OC
InChIInChI=1S/C23H19Cl2F4N5O2/c1-4-36-18-12(10(2)21-33-19(25)17-20(30)31-7-8-34(17)21)9-13(24)16(26)15(18)11-5-6-14(23(27,28)29)32-22(11)35-3/h5-10H,4H2,1-3H3,(H2,30,31)
InChIKeyICGUZQPIXBJYJD-UHFFFAOYSA-N
MW544.34 g/mol
LogP6.40
Rot. Bonds6

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

1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 134600601) has the molecular formula C23H19Cl2F4N5O2 and a molecular weight of 544.34 g/mol. Its IUPAC name is 1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID134600601
Molecular FormulaC23H19Cl2F4N5O2
Molecular Weight544.34 g/mol
Exact Mass543.09
IUPAC Name1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1OC
InChIInChI=1S/C23H19Cl2F4N5O2/c1-4-36-18-12(10(2)21-33-19(25)17-20(30)31-7-8-34(17)21)9-13(24)16(26)15(18)11-5-6-14(23(27,28)29)32-22(11)35-3/h5-10H,4H2,1-3H3,(H2,30,31)
InChIKeyICGUZQPIXBJYJD-UHFFFAOYSA-N
XLogP6.40
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.34
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (CID 134600601) is 1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is CCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1OC.
What is the InChIKey of 1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is ICGUZQPIXBJYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F4N5O2/c1-4-36-18-12(10(2)21-33-19(25)17-20(30)31-7-8-34(17)21)9-13(24)16(26)15(18)11-5-6-14(23(27,28)29)32-22(11)35-3/h5-10H,4H2,1-3H3,(H2,30,31).
What are the key properties of 1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 544.34 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 134600601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).