8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyrazine-6-carboxamide

C24H25F3N6O4 — CID 138561388

IUPAC8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC34CCC(O)(CC3)C4)cn12
InChIInChI=1S/C24H25F3N6O4/c1-12-2-3-13(23(37,20(29)35)24(25,26)27)8-14(12)16-9-30-18-17(28)31-15(10-33(16)18)19(34)32-21-4-6-22(36,11-21)7-5-21/h2-3,8-10,36-37H,4-7,11H2,1H3,(H2,28,31)(H2,29,35)(H,32,34)
InChIKeyIHCJUPIHDIJITD-UHFFFAOYSA-N
MW518.50 g/mol
LogP1.70
Rot. Bonds5

About 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)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-hydroxy-1-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 138561388) has the molecular formula C24H25F3N6O4 and a molecular weight of 518.50 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-hydroxy-1-bicyclo[2.2.1]heptanyl)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-hydroxy-1-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID138561388
Molecular FormulaC24H25F3N6O4
Molecular Weight518.50 g/mol
Exact Mass518.19
IUPAC Name8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC34CCC(O)(CC3)C4)cn12
InChIInChI=1S/C24H25F3N6O4/c1-12-2-3-13(23(37,20(29)35)24(25,26)27)8-14(12)16-9-30-18-17(28)31-15(10-33(16)18)19(34)32-21-4-6-22(36,11-21)7-5-21/h2-3,8-10,36-37H,4-7,11H2,1H3,(H2,28,31)(H2,29,35)(H,32,34)
InChIKeyIHCJUPIHDIJITD-UHFFFAOYSA-N
XLogP1.70
TPSA168.86 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.50
LogP ≤ 51.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyrazine-6-carboxamide with MolForge

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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-hydroxy-1-bicyclo[2.2.1]heptanyl)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-hydroxy-1-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyrazine-6-carboxamide (CID 138561388) is 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)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-hydroxy-1-bicyclo[2.2.1]heptanyl)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-hydroxy-1-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyrazine-6-carboxamide is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC34CCC(O)(CC3)C4)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-hydroxy-1-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is IHCJUPIHDIJITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O4/c1-12-2-3-13(23(37,20(29)35)24(25,26)27)8-14(12)16-9-30-18-17(28)31-15(10-33(16)18)19(34)32-21-4-6-22(36,11-21)7-5-21/h2-3,8-10,36-37H,4-7,11H2,1H3,(H2,28,31)(H2,29,35)(H,32,34).
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-hydroxy-1-bicyclo[2.2.1]heptanyl)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-hydroxy-1-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 518.50 g/mol, XLogP of 1.70, 5 rotatable bonds, 5 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-hydroxy-1-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 138561388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).