1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol

C19H18F4N4O — CID 138562282

IUPAC1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol
SMILESCc1ccc(C2(O)CCCC2F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C19H18F4N4O/c1-10-4-5-11(18(28)6-2-3-14(18)20)7-12(10)13-8-25-17-16(24)26-15(9-27(13)17)19(21,22)23/h4-5,7-9,14,28H,2-3,6H2,1H3,(H2,24,26)
InChIKeyJJFCMBOEXQORLM-UHFFFAOYSA-N
MW394.37 g/mol
LogP4.02
Rot. Bonds2

About 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol

1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol (PubChem CID 138562282) has the molecular formula C19H18F4N4O and a molecular weight of 394.37 g/mol. Its IUPAC name is 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol.

Molecular Properties

Compound Name1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol
PubChem CID138562282
Molecular FormulaC19H18F4N4O
Molecular Weight394.37 g/mol
Exact Mass394.14
IUPAC Name1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol
SMILESCc1ccc(C2(O)CCCC2F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C19H18F4N4O/c1-10-4-5-11(18(28)6-2-3-14(18)20)7-12(10)13-8-25-17-16(24)26-15(9-27(13)17)19(21,22)23/h4-5,7-9,14,28H,2-3,6H2,1H3,(H2,24,26)
InChIKeyJJFCMBOEXQORLM-UHFFFAOYSA-N
XLogP4.02
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol?
The IUPAC name of 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol (CID 138562282) is 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol.
What is the SMILES notation for 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol?
The canonical SMILES for 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol is Cc1ccc(C2(O)CCCC2F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.
What is the InChIKey of 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol?
The InChIKey is JJFCMBOEXQORLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O/c1-10-4-5-11(18(28)6-2-3-14(18)20)7-12(10)13-8-25-17-16(24)26-15(9-27(13)17)19(21,22)23/h4-5,7-9,14,28H,2-3,6H2,1H3,(H2,24,26).
What are the key properties of 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol?
1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol has a molecular weight of 394.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentan-1-ol is sourced from PubChem (CID 138562282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).