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

C24H21Cl2F3N4O — CID 134600905

IUPAC8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine
SMILESCc1c(Cl)cc(C(C)c2ncc3c(Cl)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H21Cl2F3N4O/c1-12(2)34-21-16(13(3)23-32-11-18-22(26)30-7-8-33(18)23)9-17(25)14(4)20(21)15-5-6-19(31-10-15)24(27,28)29/h5-13H,1-4H3
InChIKeyWACAXXORTSLYHR-UHFFFAOYSA-N
MW509.36 g/mol
LogP7.36
Rot. Bonds5

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

8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine (PubChem CID 134600905) has the molecular formula C24H21Cl2F3N4O and a molecular weight of 509.36 g/mol. Its IUPAC name is 8-chloro-3-[1-[5-chloro-4-methyl-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-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine
PubChem CID134600905
Molecular FormulaC24H21Cl2F3N4O
Molecular Weight509.36 g/mol
Exact Mass508.10
IUPAC Name8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine
SMILESCc1c(Cl)cc(C(C)c2ncc3c(Cl)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H21Cl2F3N4O/c1-12(2)34-21-16(13(3)23-32-11-18-22(26)30-7-8-33(18)23)9-17(25)14(4)20(21)15-5-6-19(31-10-15)24(27,28)29/h5-13H,1-4H3
InChIKeyWACAXXORTSLYHR-UHFFFAOYSA-N
XLogP7.36
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.36
LogP ≤ 57.36
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-methyl-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-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine (CID 134600905) is 8-chloro-3-[1-[5-chloro-4-methyl-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-methyl-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-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine is Cc1c(Cl)cc(C(C)c2ncc3c(Cl)nccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine?
The InChIKey is WACAXXORTSLYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F3N4O/c1-12(2)34-21-16(13(3)23-32-11-18-22(26)30-7-8-33(18)23)9-17(25)14(4)20(21)15-5-6-19(31-10-15)24(27,28)29/h5-13H,1-4H3.
What are the key properties of 8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine?
8-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine has a molecular weight of 509.36 g/mol, XLogP of 7.36, 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-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazine is sourced from PubChem (CID 134600905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).