N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide

C24H19F6N5O2 — CID 138562077

IUPACN-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide
SMILESCc1ccc(C(O)(CNC(=O)c2ccccc2)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C24H19F6N5O2/c1-13-7-8-15(22(37,24(28,29)30)12-33-21(36)14-5-3-2-4-6-14)9-16(13)17-10-32-20-19(31)34-18(11-35(17)20)23(25,26)27/h2-11,37H,12H2,1H3,(H2,31,34)(H,33,36)
InChIKeyIHIVOEZJPOHUTE-UHFFFAOYSA-N
MW523.44 g/mol
LogP4.49
Rot. Bonds5

About N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide

N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide (PubChem CID 138562077) has the molecular formula C24H19F6N5O2 and a molecular weight of 523.44 g/mol. Its IUPAC name is N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide
PubChem CID138562077
Molecular FormulaC24H19F6N5O2
Molecular Weight523.44 g/mol
Exact Mass523.14
IUPAC NameN-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide
SMILESCc1ccc(C(O)(CNC(=O)c2ccccc2)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C24H19F6N5O2/c1-13-7-8-15(22(37,24(28,29)30)12-33-21(36)14-5-3-2-4-6-14)9-16(13)17-10-32-20-19(31)34-18(11-35(17)20)23(25,26)27/h2-11,37H,12H2,1H3,(H2,31,34)(H,33,36)
InChIKeyIHIVOEZJPOHUTE-UHFFFAOYSA-N
XLogP4.49
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.44
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide?
The IUPAC name of N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide (CID 138562077) is N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide.
What is the SMILES notation for N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide?
The canonical SMILES for N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide is Cc1ccc(C(O)(CNC(=O)c2ccccc2)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.
What is the InChIKey of N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide?
The InChIKey is IHIVOEZJPOHUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N5O2/c1-13-7-8-15(22(37,24(28,29)30)12-33-21(36)14-5-3-2-4-6-14)9-16(13)17-10-32-20-19(31)34-18(11-35(17)20)23(25,26)27/h2-11,37H,12H2,1H3,(H2,31,34)(H,33,36).
What are the key properties of N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide?
N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide has a molecular weight of 523.44 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]benzamide is sourced from PubChem (CID 138562077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).