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

C23H19Cl2F4N5O — CID 134600647

IUPAC1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)Oc1c([C@@H](C)c2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H19Cl2F4N5O/c1-10(2)35-19-13(11(3)22-33-20(25)18-21(30)31-6-7-34(18)22)8-14(24)17(26)16(19)12-4-5-15(32-9-12)23(27,28)29/h4-11H,1-3H3,(H2,30,31)/t11-/m1/s1
InChIKeyNVLOAABOCDOWBT-LLVKDONJSA-N
MW528.34 g/mol
LogP6.78
Rot. Bonds5

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

1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 134600647) has the molecular formula C23H19Cl2F4N5O and a molecular weight of 528.34 g/mol. Its IUPAC name is 1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID134600647
Molecular FormulaC23H19Cl2F4N5O
Molecular Weight528.34 g/mol
Exact Mass527.09
IUPAC Name1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)Oc1c([C@@H](C)c2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H19Cl2F4N5O/c1-10(2)35-19-13(11(3)22-33-20(25)18-21(30)31-6-7-34(18)22)8-14(24)17(26)16(19)12-4-5-15(32-9-12)23(27,28)29/h4-11H,1-3H3,(H2,30,31)/t11-/m1/s1
InChIKeyNVLOAABOCDOWBT-LLVKDONJSA-N
XLogP6.78
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.34
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[4-[[5-Chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethanolate
CID 70701995
(5-(4-Chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11696912
1-(3-(2-Chlorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438864
1-(3-(4-Chlorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438867
1-(3-(2-Chloro-6-fluorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438898
6-[6-Chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene
CID 162763794
N-(2-chloro-4-methylphenyl)-2-(2,6-difluorophenoxy)-9-ethylpurin-8-amine
CID 44414887
2-[[4-[6-[(4-Chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine
CID 168295496
(5-(3-Chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11596007
1-(3-(3-Chlorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438866
1-[4-(4-Chlorophenoxy)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 57961014
US10100057, Example 88
CID 122506564

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (CID 134600647) is 1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is CC(C)Oc1c([C@@H](C)c2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is NVLOAABOCDOWBT-LLVKDONJSA-N. The full InChI is InChI=1S/C23H19Cl2F4N5O/c1-10(2)35-19-13(11(3)22-33-20(25)18-21(30)31-6-7-34(18)22)8-14(24)17(26)16(19)12-4-5-15(32-9-12)23(27,28)29/h4-11H,1-3H3,(H2,30,31)/t11-/m1/s1.
What are the key properties of 1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 528.34 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(1R)-1-[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 134600647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).