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

C24H22ClF4N5O — CID 142369534

IUPAC1-chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCCCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H22ClF4N5O/c1-4-9-35-20-15(13(3)23-33-21(25)19-22(30)31-7-8-34(19)23)10-12(2)18(26)17(20)14-5-6-16(32-11-14)24(27,28)29/h5-8,10-11,13H,4,9H2,1-3H3,(H2,30,31)
InChIKeyYQNLRDWBQDKKKS-UHFFFAOYSA-N
MW507.92 g/mol
LogP6.43
Rot. Bonds6

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

1-chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 142369534) has the molecular formula C24H22ClF4N5O and a molecular weight of 507.92 g/mol. Its IUPAC name is 1-chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID142369534
Molecular FormulaC24H22ClF4N5O
Molecular Weight507.92 g/mol
Exact Mass507.14
IUPAC Name1-chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCCCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H22ClF4N5O/c1-4-9-35-20-15(13(3)23-33-21(25)19-22(30)31-7-8-34(19)23)10-12(2)18(26)17(20)14-5-6-16(32-11-14)24(27,28)29/h5-8,10-11,13H,4,9H2,1-3H3,(H2,30,31)
InChIKeyYQNLRDWBQDKKKS-UHFFFAOYSA-N
XLogP6.43
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.92
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (CID 142369534) is 1-chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is CCCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(C)c(F)c1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is YQNLRDWBQDKKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF4N5O/c1-4-9-35-20-15(13(3)23-33-21(25)19-22(30)31-7-8-34(19)23)10-12(2)18(26)17(20)14-5-6-16(32-11-14)24(27,28)29/h5-8,10-11,13H,4,9H2,1-3H3,(H2,30,31).
What are the key properties of 1-chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?
1-chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 507.92 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[1-[4-fluoro-5-methyl-2-propoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 142369534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).