8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide

C23H22F6N6O4 — CID 138562206

IUPAC8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC3(C(F)(F)F)CCOCC3)cn12
InChIInChI=1S/C23H22F6N6O4/c1-11-2-3-12(21(38,19(31)37)23(27,28)29)8-13(11)15-9-32-17-16(30)33-14(10-35(15)17)18(36)34-20(22(24,25)26)4-6-39-7-5-20/h2-3,8-10,38H,4-7H2,1H3,(H2,30,33)(H2,31,37)(H,34,36)
InChIKeyGYOXVBYTXOJWGI-UHFFFAOYSA-N
MW560.46 g/mol
LogP2.36
Rot. Bonds5

About 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide

8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 138562206) has the molecular formula C23H22F6N6O4 and a molecular weight of 560.46 g/mol. Its IUPAC name is 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID138562206
Molecular FormulaC23H22F6N6O4
Molecular Weight560.46 g/mol
Exact Mass560.16
IUPAC Name8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC3(C(F)(F)F)CCOCC3)cn12
InChIInChI=1S/C23H22F6N6O4/c1-11-2-3-12(21(38,19(31)37)23(27,28)29)8-13(11)15-9-32-17-16(30)33-14(10-35(15)17)18(36)34-20(22(24,25)26)4-6-39-7-5-20/h2-3,8-10,38H,4-7H2,1H3,(H2,30,33)(H2,31,37)(H,34,36)
InChIKeyGYOXVBYTXOJWGI-UHFFFAOYSA-N
XLogP2.36
TPSA157.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.46
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 138562206) is 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC3(C(F)(F)F)CCOCC3)cn12.
What is the InChIKey of 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is GYOXVBYTXOJWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F6N6O4/c1-11-2-3-12(21(38,19(31)37)23(27,28)29)8-13(11)15-9-32-17-16(30)33-14(10-35(15)17)18(36)34-20(22(24,25)26)4-6-39-7-5-20/h2-3,8-10,38H,4-7H2,1H3,(H2,30,33)(H2,31,37)(H,34,36).
What are the key properties of 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 560.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-[4-(trifluoromethyl)oxan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 138562206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).