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

C30H29N5O — CID 141149040

IUPACN-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1-c1cn2ccnc2c(Nc2ccccc2)n1
InChIInChI=1S/C30H29N5O/c1-20-10-15-24(33-29(36)21-11-13-22(14-12-21)30(2,3)4)18-25(20)26-19-35-17-16-31-28(35)27(34-26)32-23-8-6-5-7-9-23/h5-19H,1-4H3,(H,32,34)(H,33,36)
InChIKeyDXBBXQQEWPYRCS-UHFFFAOYSA-N
MW475.60 g/mol
LogP7.00
Rot. Bonds5

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

N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide (PubChem CID 141149040) has the molecular formula C30H29N5O and a molecular weight of 475.60 g/mol. Its IUPAC name is N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide
PubChem CID141149040
Molecular FormulaC30H29N5O
Molecular Weight475.60 g/mol
Exact Mass475.24
IUPAC NameN-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1-c1cn2ccnc2c(Nc2ccccc2)n1
InChIInChI=1S/C30H29N5O/c1-20-10-15-24(33-29(36)21-11-13-22(14-12-21)30(2,3)4)18-25(20)26-19-35-17-16-31-28(35)27(34-26)32-23-8-6-5-7-9-23/h5-19H,1-4H3,(H,32,34)(H,33,36)
InChIKeyDXBBXQQEWPYRCS-UHFFFAOYSA-N
XLogP7.00
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide
CID 11397050
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-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11612889
4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid
CID 11669556
4-tert-butyl-N-[3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11541211
4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide
CID 69200599
4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide
CID 58688035
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-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11714059
4-tert-butyl-N-[3-[8-[4-[(3R)-3-methylpiperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 59754738

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide?
The IUPAC name of N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide (CID 141149040) is N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide is Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1-c1cn2ccnc2c(Nc2ccccc2)n1.
What is the InChIKey of N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide?
The InChIKey is DXBBXQQEWPYRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O/c1-20-10-15-24(33-29(36)21-11-13-22(14-12-21)30(2,3)4)18-25(20)26-19-35-17-16-31-28(35)27(34-26)32-23-8-6-5-7-9-23/h5-19H,1-4H3,(H,32,34)(H,33,36).
What are the key properties of N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide?
N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide has a molecular weight of 475.60 g/mol, XLogP of 7.00, 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)-4-methylphenyl]-4-tert-butylbenzamide is sourced from PubChem (CID 141149040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).