N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide

C66H53N15O2S — CID 159449619

IUPACN-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4ccccc4)cn4ccnc34)cc2)cc1.c1ccc(-c2cn3ccnc3c(Nc3ccc4[nH]ccc4c3)n2)cc1.c1ccc(CNc2nc(-c3ccc4[nH]ccc4c3)cn3ccnc23)cc1
InChIInChI=1S/C25H21N5O2S.C21H17N5.C20H15N5/c1-18-7-13-22(14-8-18)33(31,32)29-21-11-9-20(10-12-21)27-24-25-26-15-16-30(25)17-23(28-24)19-5-3-2-4-6-19;1-2-4-15(5-3-1)13-24-20-21-23-10-11-26(21)14-19(25-20)16-6-7-18-17(12-16)8-9-22-18;1-2-4-14(5-3-1)18-13-25-11-10-22-20(25)19(24-18)23-16-6-7-17-15(12-16)8-9-21-17/h2-17,29H,1H3,(H,27,28);1-12,14,22H,13H2,(H,24,25);1-13,21H,(H,23,24)
InChIKeyLTEXNMYVUWNXSO-UHFFFAOYSA-N
MW1120.32 g/mol
LogP14.36
Rot. Bonds13

About N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide

N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide (PubChem CID 159449619) has the molecular formula C66H53N15O2S and a molecular weight of 1120.32 g/mol. Its IUPAC name is N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide
PubChem CID159449619
Molecular FormulaC66H53N15O2S
Molecular Weight1120.32 g/mol
Exact Mass1119.42
IUPAC NameN-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4ccccc4)cn4ccnc34)cc2)cc1.c1ccc(-c2cn3ccnc3c(Nc3ccc4[nH]ccc4c3)n2)cc1.c1ccc(CNc2nc(-c3ccc4[nH]ccc4c3)cn3ccnc23)cc1
InChIInChI=1S/C25H21N5O2S.C21H17N5.C20H15N5/c1-18-7-13-22(14-8-18)33(31,32)29-21-11-9-20(10-12-21)27-24-25-26-15-16-30(25)17-23(28-24)19-5-3-2-4-6-19;1-2-4-15(5-3-1)13-24-20-21-23-10-11-26(21)14-19(25-20)16-6-7-18-17(12-16)8-9-22-18;1-2-4-14(5-3-1)18-13-25-11-10-22-20(25)19(24-18)23-16-6-7-17-15(12-16)8-9-21-17/h2-17,29H,1H3,(H,27,28);1-12,14,22H,13H2,(H,24,25);1-13,21H,(H,23,24)
InChIKeyLTEXNMYVUWNXSO-UHFFFAOYSA-N
XLogP14.36
TPSA204.41 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001120.32
LogP ≤ 514.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide with MolForge

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Related Compounds

3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonyl-5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]pyrrolo[2,3-b]pyridine
CID 89737589
3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 89737593
7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
CID 158597764
1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
CID 159360836
1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
CID 159672882
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 160113901
3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 160983011
1-(1H-inden-1-yl)-N-[3-[2-(methylaminomethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-5-yl]-1H-indol-2-yl]imidazole-4-sulfonamide
CID 151475358
10-(Benzenesulfonyl)-3-(1-benzyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene;3-(1-benzyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 159575013
4-[[[3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 126474611
1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 16679255
6-Tert-butyl-17-pyrrolidin-1-yl-2-aza-13-azoniapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3(8),4,6,9,11,14(19),15,17,20-decaene;4-methylbenzenesulfonate
CID 20335513

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide (CID 159449619) is N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4ccccc4)cn4ccnc34)cc2)cc1.c1ccc(-c2cn3ccnc3c(Nc3ccc4[nH]ccc4c3)n2)cc1.c1ccc(CNc2nc(-c3ccc4[nH]ccc4c3)cn3ccnc23)cc1.
What is the InChIKey of N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is LTEXNMYVUWNXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2S.C21H17N5.C20H15N5/c1-18-7-13-22(14-8-18)33(31,32)29-21-11-9-20(10-12-21)27-24-25-26-15-16-30(25)17-23(28-24)19-5-3-2-4-6-19;1-2-4-15(5-3-1)13-24-20-21-23-10-11-26(21)14-19(25-20)16-6-7-18-17(12-16)8-9-22-18;1-2-4-14(5-3-1)18-13-25-11-10-22-20(25)19(24-18)23-16-6-7-17-15(12-16)8-9-21-17/h2-17,29H,1H3,(H,27,28);1-12,14,22H,13H2,(H,24,25);1-13,21H,(H,23,24).
What are the key properties of N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide?
N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 1120.32 g/mol, XLogP of 14.36, 13 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 159449619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).