N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide

C24H30F3N5O3 — CID 138576398

About N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide

N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 138576398) has the molecular formula C24H30F3N5O3 and a molecular weight of 493.53 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 138576398
• Molecular Formula: C24H30F3N5O3
• Molecular Weight: 493.53 g/mol
• Exact Mass: 493.23
• IUPAC Name: N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide
• SMILES: Cc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(NC(C)C)nc(C(=O)NCC(C)(C)O)cn12
• InChI: InChI=1S/C24H30F3N5O3/c1-13(2)30-19-20-28-10-18(32(20)11-17(31-19)21(33)29-12-22(4,5)34)16-9-15(8-7-14(16)3)23(6,35)24(25,26)27/h7-11,13,34-35H,12H2,1-6H3,(H,29,33)(H,30,31)
• InChIKey: CQDOXGAUBDEGQA-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 111.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.53
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide?

The IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide (CID 138576398) is N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide.

What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide?

The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide is Cc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(NC(C)C)nc(C(=O)NCC(C)(C)O)cn12.

What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide?

The InChIKey is CQDOXGAUBDEGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O3/c1-13(2)30-19-20-28-10-18(32(20)11-17(31-19)21(33)29-12-22(4,5)34)16-9-15(8-7-14(16)3)23(6,35)24(25,26)27/h7-11,13,34-35H,12H2,1-6H3,(H,29,33)(H,30,31).

What are the key properties of N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide?

N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 493.53 g/mol, XLogP of 3.80, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 138576398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).