4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid

C26H19N5O3 — CID 11669556

IUPAC4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cccc(-c3cn4ccnc4c(Nc4ccccc4)n3)c2)cc1
InChIInChI=1S/C26H19N5O3/c32-25(17-9-11-18(12-10-17)26(33)34)29-21-8-4-5-19(15-21)22-16-31-14-13-27-24(31)23(30-22)28-20-6-2-1-3-7-20/h1-16H,(H,28,30)(H,29,32)(H,33,34)
InChIKeyNIMAKMUAMQZIQZ-UHFFFAOYSA-N
MW449.47 g/mol
LogP5.09
Rot. Bonds6

About 4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid

4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid (PubChem CID 11669556) has the molecular formula C26H19N5O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is 4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid
PubChem CID11669556
Molecular FormulaC26H19N5O3
Molecular Weight449.47 g/mol
Exact Mass449.15
IUPAC Name4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cccc(-c3cn4ccnc4c(Nc4ccccc4)n3)c2)cc1
InChIInChI=1S/C26H19N5O3/c32-25(17-9-11-18(12-10-17)26(33)34)29-21-8-4-5-19(15-21)22-16-31-14-13-27-24(31)23(30-22)28-20-6-2-1-3-7-20/h1-16H,(H,28,30)(H,29,32)(H,33,34)
InChIKeyNIMAKMUAMQZIQZ-UHFFFAOYSA-N
XLogP5.09
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.47
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide
CID 11397050
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-tert-butyl-N-[3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11541211
4-tert-butyl-N-[3-[8-[4-[(4-methylpiperazin-1-yl)methyl]anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11534309
N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide
CID 140922972
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-[3-[8-[4-[(3R)-3-methylpiperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 59754738
4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide
CID 69200599
N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide
CID 141149040
4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 10005816

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid (CID 11669556) is 4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2cccc(-c3cn4ccnc4c(Nc4ccccc4)n3)c2)cc1.
What is the InChIKey of 4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid?
The InChIKey is NIMAKMUAMQZIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O3/c32-25(17-9-11-18(12-10-17)26(33)34)29-21-8-4-5-19(15-21)22-16-31-14-13-27-24(31)23(30-22)28-20-6-2-1-3-7-20/h1-16H,(H,28,30)(H,29,32)(H,33,34).
What are the key properties of 4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid?
4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid has a molecular weight of 449.47 g/mol, XLogP of 5.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 11669556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).