1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone

C28H23ClN4OS — CID 158925037

IUPAC1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone
SMILESO=C(CC1CC1)c1ccc(-c2cnc3c(NCc4sccc4Cl)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C28H23ClN4OS/c29-22-12-13-35-26(22)16-30-27-28-31-15-24(33(28)17-23(32-27)19-4-2-1-3-5-19)20-8-10-21(11-9-20)25(34)14-18-6-7-18/h1-5,8-13,15,17-18H,6-7,14,16H2,(H,30,32)
InChIKeyJIIDREWKIQYRSQ-UHFFFAOYSA-N
MW499.04 g/mol
LogP7.37
Rot. Bonds8

About 1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone

1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone (PubChem CID 158925037) has the molecular formula C28H23ClN4OS and a molecular weight of 499.04 g/mol. Its IUPAC name is 1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone.

Molecular Properties

Compound Name1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone
PubChem CID158925037
Molecular FormulaC28H23ClN4OS
Molecular Weight499.04 g/mol
Exact Mass498.13
IUPAC Name1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone
SMILESO=C(CC1CC1)c1ccc(-c2cnc3c(NCc4sccc4Cl)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C28H23ClN4OS/c29-22-12-13-35-26(22)16-30-27-28-31-15-24(33(28)17-23(32-27)19-4-2-1-3-5-19)20-8-10-21(11-9-20)25(34)14-18-6-7-18/h1-5,8-13,15,17-18H,6-7,14,16H2,(H,30,32)
InChIKeyJIIDREWKIQYRSQ-UHFFFAOYSA-N
XLogP7.37
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.04
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381227
1-[2-chloro-4-[6-[4-(dimethylamino)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone
CID 158962110
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973429
N-cyclopropyl-4-[6-phenyl-8-(2-sulfamoylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67990733
4-[8-(2-aminopropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973384
N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381452
4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 123258800
5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid
CID 67976568
6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 10452536
2-chloro-N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 90256484
N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90256676
3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide
CID 67972903

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone?
The IUPAC name of 1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone (CID 158925037) is 1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone.
What is the SMILES notation for 1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone?
The canonical SMILES for 1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone is O=C(CC1CC1)c1ccc(-c2cnc3c(NCc4sccc4Cl)nc(-c4ccccc4)cn23)cc1.
What is the InChIKey of 1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone?
The InChIKey is JIIDREWKIQYRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4OS/c29-22-12-13-35-26(22)16-30-27-28-31-15-24(33(28)17-23(32-27)19-4-2-1-3-5-19)20-8-10-21(11-9-20)25(34)14-18-6-7-18/h1-5,8-13,15,17-18H,6-7,14,16H2,(H,30,32).
What are the key properties of 1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone?
1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone has a molecular weight of 499.04 g/mol, XLogP of 7.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone is sourced from PubChem (CID 158925037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).