8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine

C23H18Cl2F4N4O — CID 134600578

IUPAC8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine
SMILESCC(C)Oc1c(C(C)c2ncc3c(Cl)nccn23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H18Cl2F4N4O/c1-11(2)34-20-14(12(3)22-32-10-16-21(25)30-6-7-33(16)22)8-15(24)19(26)18(20)13-4-5-17(31-9-13)23(27,28)29/h4-12H,1-3H3
InChIKeyMDHNHHLZEUATMH-UHFFFAOYSA-N
MW513.32 g/mol
LogP7.20
Rot. Bonds5

About 8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine

8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine (PubChem CID 134600578) has the molecular formula C23H18Cl2F4N4O and a molecular weight of 513.32 g/mol. Its IUPAC name is 8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine
PubChem CID134600578
Molecular FormulaC23H18Cl2F4N4O
Molecular Weight513.32 g/mol
Exact Mass512.08
IUPAC Name8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine
SMILESCC(C)Oc1c(C(C)c2ncc3c(Cl)nccn23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H18Cl2F4N4O/c1-11(2)34-20-14(12(3)22-32-10-16-21(25)30-6-7-33(16)22)8-15(24)19(26)18(20)13-4-5-17(31-9-13)23(27,28)29/h4-12H,1-3H3
InChIKeyMDHNHHLZEUATMH-UHFFFAOYSA-N
XLogP7.20
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.32
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine?
The IUPAC name of 8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine (CID 134600578) is 8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine.
What is the SMILES notation for 8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine?
The canonical SMILES for 8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine is CC(C)Oc1c(C(C)c2ncc3c(Cl)nccn23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine?
The InChIKey is MDHNHHLZEUATMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2F4N4O/c1-11(2)34-20-14(12(3)22-32-10-16-21(25)30-6-7-33(16)22)8-15(24)19(26)18(20)13-4-5-17(31-9-13)23(27,28)29/h4-12H,1-3H3.
What are the key properties of 8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine?
8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine has a molecular weight of 513.32 g/mol, XLogP of 7.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine is sourced from PubChem (CID 134600578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).