4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide

C31H30N6O2 — CID 69200599

IUPAC4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1Nc1nc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cn2ccnc12
InChIInChI=1S/C31H30N6O2/c1-19-16-22(27(32)38)10-13-25(19)35-28-29-33-14-15-37(29)18-26(36-28)21-6-5-7-24(17-21)34-30(39)20-8-11-23(12-9-20)31(2,3)4/h5-18H,1-4H3,(H2,32,38)(H,34,39)(H,35,36)
InChIKeyLJBUOQPSPONRRP-UHFFFAOYSA-N
MW518.62 g/mol
LogP6.10
Rot. Bonds6

About 4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide

4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide (PubChem CID 69200599) has the molecular formula C31H30N6O2 and a molecular weight of 518.62 g/mol. Its IUPAC name is 4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide
PubChem CID69200599
Molecular FormulaC31H30N6O2
Molecular Weight518.62 g/mol
Exact Mass518.24
IUPAC Name4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1Nc1nc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cn2ccnc12
InChIInChI=1S/C31H30N6O2/c1-19-16-22(27(32)38)10-13-25(19)35-28-29-33-14-15-37(29)18-26(36-28)21-6-5-7-24(17-21)34-30(39)20-8-11-23(12-9-20)31(2,3)4/h5-18H,1-4H3,(H2,32,38)(H,34,39)(H,35,36)
InChIKeyLJBUOQPSPONRRP-UHFFFAOYSA-N
XLogP6.10
TPSA114.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 56.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-[3-[8-(4-carbamoylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 59754735
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-(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-[2-(dimethylamino)ethoxy]anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11562992
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-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-4-methylphenyl]-4-tert-butylbenzamide
CID 141149040
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-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide
CID 58688035
4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 146621892

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide?
The IUPAC name of 4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide (CID 69200599) is 4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide.
What is the SMILES notation for 4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide?
The canonical SMILES for 4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1Nc1nc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cn2ccnc12.
What is the InChIKey of 4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide?
The InChIKey is LJBUOQPSPONRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O2/c1-19-16-22(27(32)38)10-13-25(19)35-28-29-33-14-15-37(29)18-26(36-28)21-6-5-7-24(17-21)34-30(39)20-8-11-23(12-9-20)31(2,3)4/h5-18H,1-4H3,(H2,32,38)(H,34,39)(H,35,36).
What are the key properties of 4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide?
4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide has a molecular weight of 518.62 g/mol, XLogP of 6.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide is sourced from PubChem (CID 69200599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).