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

C23H25F6N5O2 — CID 138561476

IUPAC2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol
SMILESCc1ccc(C(O)(CCNC2CCOCC2)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C23H25F6N5O2/c1-13-2-3-14(21(35,23(27,28)29)6-7-31-15-4-8-36-9-5-15)10-16(13)17-11-32-20-19(30)33-18(12-34(17)20)22(24,25)26/h2-3,10-12,15,31,35H,4-9H2,1H3,(H2,30,33)
InChIKeyQABGLAMXHIDZGT-UHFFFAOYSA-N
MW517.47 g/mol
LogP4.21
Rot. Bonds6

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

2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol (PubChem CID 138561476) has the molecular formula C23H25F6N5O2 and a molecular weight of 517.47 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol
PubChem CID138561476
Molecular FormulaC23H25F6N5O2
Molecular Weight517.47 g/mol
Exact Mass517.19
IUPAC Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol
SMILESCc1ccc(C(O)(CCNC2CCOCC2)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C23H25F6N5O2/c1-13-2-3-14(21(35,23(27,28)29)6-7-31-15-4-8-36-9-5-15)10-16(13)17-11-32-20-19(30)33-18(12-34(17)20)22(24,25)26/h2-3,10-12,15,31,35H,4-9H2,1H3,(H2,30,33)
InChIKeyQABGLAMXHIDZGT-UHFFFAOYSA-N
XLogP4.21
TPSA97.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.47
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol?
The IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol (CID 138561476) is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol.
What is the SMILES notation for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol?
The canonical SMILES for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol is Cc1ccc(C(O)(CCNC2CCOCC2)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.
What is the InChIKey of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol?
The InChIKey is QABGLAMXHIDZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F6N5O2/c1-13-2-3-14(21(35,23(27,28)29)6-7-31-15-4-8-36-9-5-15)10-16(13)17-11-32-20-19(30)33-18(12-34(17)20)22(24,25)26/h2-3,10-12,15,31,35H,4-9H2,1H3,(H2,30,33).
What are the key properties of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol?
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol has a molecular weight of 517.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(oxan-4-ylamino)butan-2-ol is sourced from PubChem (CID 138561476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).