N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide

C30H24F3N5O — CID 57381227

IUPACN-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCc4ccc(C(F)(F)F)cc4)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C30H24F3N5O/c31-30(32,33)23-12-6-19(7-13-23)16-34-27-28-35-17-26(38(28)18-25(37-27)20-4-2-1-3-5-20)21-8-10-22(11-9-21)29(39)36-24-14-15-24/h1-13,17-18,24H,14-16H2,(H,34,37)(H,36,39)
InChIKeyOPGYAWWGRKXMDC-UHFFFAOYSA-N
MW527.55 g/mol
LogP6.59
Rot. Bonds7

About N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57381227) has the molecular formula C30H24F3N5O and a molecular weight of 527.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID57381227
Molecular FormulaC30H24F3N5O
Molecular Weight527.55 g/mol
Exact Mass527.19
IUPAC NameN-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCc4ccc(C(F)(F)F)cc4)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C30H24F3N5O/c31-30(32,33)23-12-6-19(7-13-23)16-34-27-28-35-17-26(38(28)18-25(37-27)20-4-2-1-3-5-20)21-8-10-22(11-9-21)29(39)36-24-14-15-24/h1-13,17-18,24H,14-16H2,(H,34,37)(H,36,39)
InChIKeyOPGYAWWGRKXMDC-UHFFFAOYSA-N
XLogP6.59
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.55
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973429
N-cyclopropyl-4-[8-(2-methylpropylamino)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57382318
N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381452
4-[8-(2-aminopropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973384
N-cyclopropyl-4-[6-phenyl-8-(2-sulfamoylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67990733
N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976879
N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381228
5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid
CID 67976568
N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90256676
N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976583
N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfinyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53390013
4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 123258800

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57381227) is N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCc4ccc(C(F)(F)F)cc4)nc(-c4ccccc4)cn23)cc1.
What is the InChIKey of N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is OPGYAWWGRKXMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N5O/c31-30(32,33)23-12-6-19(7-13-23)16-34-27-28-35-17-26(38(28)18-25(37-27)20-4-2-1-3-5-20)21-8-10-22(11-9-21)29(39)36-24-14-15-24/h1-13,17-18,24H,14-16H2,(H,34,37)(H,36,39).
What are the key properties of N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 527.55 g/mol, XLogP of 6.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57381227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).