1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one

C27H27F3N6O2 — CID 168822234

IUPAC1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)c2ccc(Cc3nccn4c(C5=CCN=C5C(F)(F)F)cnc34)cc2C)CC1
InChIInChI=1S/C27H27F3N6O2/c1-3-23(37)34-10-12-35(13-11-34)26(38)19-5-4-18(14-17(19)2)15-21-25-33-16-22(36(25)9-8-31-21)20-6-7-32-24(20)27(28,29)30/h4-6,8-9,14,16H,3,7,10-13,15H2,1-2H3
InChIKeyCGSQDWBGPOKBMJ-UHFFFAOYSA-N
MW524.55 g/mol
LogP3.72
Rot. Bonds5

About 1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one

1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one (PubChem CID 168822234) has the molecular formula C27H27F3N6O2 and a molecular weight of 524.55 g/mol. Its IUPAC name is 1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one
PubChem CID168822234
Molecular FormulaC27H27F3N6O2
Molecular Weight524.55 g/mol
Exact Mass524.21
IUPAC Name1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)c2ccc(Cc3nccn4c(C5=CCN=C5C(F)(F)F)cnc34)cc2C)CC1
InChIInChI=1S/C27H27F3N6O2/c1-3-23(37)34-10-12-35(13-11-34)26(38)19-5-4-18(14-17(19)2)15-21-25-33-16-22(36(25)9-8-31-21)20-6-7-32-24(20)27(28,29)30/h4-6,8-9,14,16H,3,7,10-13,15H2,1-2H3
InChIKeyCGSQDWBGPOKBMJ-UHFFFAOYSA-N
XLogP3.72
TPSA83.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.55
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one (CID 168822234) is 1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(=O)c2ccc(Cc3nccn4c(C5=CCN=C5C(F)(F)F)cnc34)cc2C)CC1.
What is the InChIKey of 1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one?
The InChIKey is CGSQDWBGPOKBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O2/c1-3-23(37)34-10-12-35(13-11-34)26(38)19-5-4-18(14-17(19)2)15-21-25-33-16-22(36(25)9-8-31-21)20-6-7-32-24(20)27(28,29)30/h4-6,8-9,14,16H,3,7,10-13,15H2,1-2H3.
What are the key properties of 1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one?
1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one has a molecular weight of 524.55 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 168822234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).