morpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone

C33H25F3N6O3 — CID 78320318

IUPACmorpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone
SMILESO=C(c1ccc(Nc2nc(-c3cccc4c3ccn4C(=O)c3cccc(C(F)(F)F)c3)cn3ccnc23)cc1)N1CCOCC1
InChIInChI=1S/C33H25F3N6O3/c34-33(35,36)23-4-1-3-22(19-23)32(44)42-13-11-26-25(5-2-6-28(26)42)27-20-41-14-12-37-30(41)29(39-27)38-24-9-7-21(8-10-24)31(43)40-15-17-45-18-16-40/h1-14,19-20H,15-18H2,(H,38,39)
InChIKeyOREHZYIDDWSNDE-UHFFFAOYSA-N
MW610.60 g/mol
LogP6.27
Rot. Bonds5

About morpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone

morpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone (PubChem CID 78320318) has the molecular formula C33H25F3N6O3 and a molecular weight of 610.60 g/mol. Its IUPAC name is morpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone
PubChem CID78320318
Molecular FormulaC33H25F3N6O3
Molecular Weight610.60 g/mol
Exact Mass610.19
IUPAC Namemorpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone
SMILESO=C(c1ccc(Nc2nc(-c3cccc4c3ccn4C(=O)c3cccc(C(F)(F)F)c3)cn3ccnc23)cc1)N1CCOCC1
InChIInChI=1S/C33H25F3N6O3/c34-33(35,36)23-4-1-3-22(19-23)32(44)42-13-11-26-25(5-2-6-28(26)42)27-20-41-14-12-37-30(41)29(39-27)38-24-9-7-21(8-10-24)31(43)40-15-17-45-18-16-40/h1-14,19-20H,15-18H2,(H,38,39)
InChIKeyOREHZYIDDWSNDE-UHFFFAOYSA-N
XLogP6.27
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.60
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-(Dimethylamino)ethyl)-N-methyl-4-(((4-(4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo(2,3-d)pyrimidin-2-yl)phenyl)carbamoyl)amino)benzamide
CID 44599690
3-(2-imidazo[1,2-a]pyrazin-5-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 71605047
6-but-3-enyl-4-[1-methyl-6-(morpholine-4-carbonyl)benzimidazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121335283
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 56929808
{4-[9-Phenyl-2-(quinolin-3-ylamino)-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone
CID 24762176
4-Tert-Butyl-N-[2-Methyl-3-(6-{[4-(Morpholin-4-Ylcarbonyl)phenyl]amino}-7h-Purin-2-Yl)phenyl]benzamide
CID 53356518
N-(4-{5-[3-(Acetylamino)phenyl]-2-(2-Aminopyridin-3-Yl)-3h-Imidazo[4,5-B]pyridin-3-Yl}benzyl)-3-Fluorobenzamide
CID 56965952
4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide
CID 121249908
3-(Imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
CID 24826558
3-(Imidazo[1,2-a]pyridin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
CID 24827068
N-[2-(Dimethylamino)ethyl]-4-[({4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}carbamoyl)amino]benzamide
CID 44600649
2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide
CID 71667102

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone (CID 78320318) is morpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone is O=C(c1ccc(Nc2nc(-c3cccc4c3ccn4C(=O)c3cccc(C(F)(F)F)c3)cn3ccnc23)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone?
The InChIKey is OREHZYIDDWSNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F3N6O3/c34-33(35,36)23-4-1-3-22(19-23)32(44)42-13-11-26-25(5-2-6-28(26)42)27-20-41-14-12-37-30(41)29(39-27)38-24-9-7-21(8-10-24)31(43)40-15-17-45-18-16-40/h1-14,19-20H,15-18H2,(H,38,39).
What are the key properties of morpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone?
morpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone has a molecular weight of 610.60 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[[6-[1-[3-(trifluoromethyl)benzoyl]indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone is sourced from PubChem (CID 78320318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).