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

C22H17Cl2F4N5O — CID 134600645

IUPAC1-chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)Oc1c(Cc2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H17Cl2F4N5O/c1-10(2)34-19-12(8-15-32-20(24)18-21(29)30-5-6-33(15)18)7-13(23)17(25)16(19)11-3-4-14(31-9-11)22(26,27)28/h3-7,9-10H,8H2,1-2H3,(H2,29,30)
InChIKeyWXXKWNFXBNDKOX-UHFFFAOYSA-N
MW514.31 g/mol
LogP6.22
Rot. Bonds5

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

1-chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 134600645) has the molecular formula C22H17Cl2F4N5O and a molecular weight of 514.31 g/mol. Its IUPAC name is 1-chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID134600645
Molecular FormulaC22H17Cl2F4N5O
Molecular Weight514.31 g/mol
Exact Mass513.07
IUPAC Name1-chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)Oc1c(Cc2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H17Cl2F4N5O/c1-10(2)34-19-12(8-15-32-20(24)18-21(29)30-5-6-33(15)18)7-13(23)17(25)16(19)11-3-4-14(31-9-11)22(26,27)28/h3-7,9-10H,8H2,1-2H3,(H2,29,30)
InChIKeyWXXKWNFXBNDKOX-UHFFFAOYSA-N
XLogP6.22
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.31
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]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-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine (CID 134600645) is 1-chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine is CC(C)Oc1c(Cc2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is WXXKWNFXBNDKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F4N5O/c1-10(2)34-19-12(8-15-32-20(24)18-21(29)30-5-6-33(15)18)7-13(23)17(25)16(19)11-3-4-14(31-9-11)22(26,27)28/h3-7,9-10H,8H2,1-2H3,(H2,29,30).
What are the key properties of 1-chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine?
1-chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 514.31 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[[5-chloro-4-fluoro-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 134600645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).