N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide

C29H27N5O — CID 11397050

IUPACN-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cn4ccnc4c(Nc4ccccc4)n3)c2)cc1
InChIInChI=1S/C29H27N5O/c1-29(2,3)22-14-12-20(13-15-22)28(35)32-24-11-7-8-21(18-24)25-19-34-17-16-30-27(34)26(33-25)31-23-9-5-4-6-10-23/h4-19H,1-3H3,(H,31,33)(H,32,35)
InChIKeyIJMHHZDBRUGXNO-UHFFFAOYSA-N
MW461.57 g/mol
LogP6.69
Rot. Bonds5

About N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide

N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide (PubChem CID 11397050) has the molecular formula C29H27N5O and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide
PubChem CID11397050
Molecular FormulaC29H27N5O
Molecular Weight461.57 g/mol
Exact Mass461.22
IUPAC NameN-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cn4ccnc4c(Nc4ccccc4)n3)c2)cc1
InChIInChI=1S/C29H27N5O/c1-29(2,3)22-14-12-20(13-15-22)28(35)32-24-11-7-8-21(18-24)25-19-34-17-16-30-27(34)26(33-25)31-23-9-5-4-6-10-23/h4-19H,1-3H3,(H,31,33)(H,32,35)
InChIKeyIJMHHZDBRUGXNO-UHFFFAOYSA-N
XLogP6.69
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-[8-(4-tert-butylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]carbamoyl]benzoic acid
CID 90656833
4-tert-butyl-N-[3-[8-(4-carbamoylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 59754735
4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid
CID 11669556
4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11612889
4-tert-butyl-N-[3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11541211
N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide
CID 141149040
4-tert-butyl-N-[3-[8-[4-[(4-methylpiperazin-1-yl)methyl]anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11534309
4-tert-butyl-N-[3-[8-[4-[2-(dimethylamino)ethoxy]anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11562992
4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide
CID 69200599
4-tert-butyl-N-[3-[8-[4-[(3R)-3-methylpiperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 59754738
N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide
CID 140922972
4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide
CID 58688035

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide?
The IUPAC name of N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide (CID 11397050) is N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cn4ccnc4c(Nc4ccccc4)n3)c2)cc1.
What is the InChIKey of N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide?
The InChIKey is IJMHHZDBRUGXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O/c1-29(2,3)22-14-12-20(13-15-22)28(35)32-24-11-7-8-21(18-24)25-19-34-17-16-30-27(34)26(33-25)31-23-9-5-4-6-10-23/h4-19H,1-3H3,(H,31,33)(H,32,35).
What are the key properties of N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide?
N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide has a molecular weight of 461.57 g/mol, XLogP of 6.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide is sourced from PubChem (CID 11397050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).