4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide

C59H55N15O4S — CID 157355064

IUPAC4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide
SMILESCC(C)c1ccc(Nc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.CS(=O)(=O)Nc1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1.Oc1cccc(-c2cnc3c(NCCc4cccnc4)nccn23)c1
InChIInChI=1S/C21H20N4O.C19H18N6O2S.C19H17N5O/c1-14(2)15-3-7-17(8-4-15)24-20-21-23-13-19(25(21)12-11-22-20)16-5-9-18(26)10-6-16;1-28(26,27)24-16-6-2-5-15(10-16)17-13-23-19-18(21-8-9-25(17)19)22-12-14-4-3-7-20-11-14;25-16-5-1-4-15(11-16)17-13-23-19-18(22-9-10-24(17)19)21-8-6-14-3-2-7-20-12-14/h3-14,26H,1-2H3,(H,22,24);2-11,13,24H,12H2,1H3,(H,21,22);1-5,7,9-13,25H,6,8H2,(H,21,22)
InChIKeyBHZHGGFUAXMWQQ-UHFFFAOYSA-N
MW1070.26 g/mol
LogP10.90
Rot. Bonds15

About 4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide

4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide (PubChem CID 157355064) has the molecular formula C59H55N15O4S and a molecular weight of 1070.26 g/mol. Its IUPAC name is 4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide
PubChem CID157355064
Molecular FormulaC59H55N15O4S
Molecular Weight1070.26 g/mol
Exact Mass1069.43
IUPAC Name4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide
SMILESCC(C)c1ccc(Nc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.CS(=O)(=O)Nc1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1.Oc1cccc(-c2cnc3c(NCCc4cccnc4)nccn23)c1
InChIInChI=1S/C21H20N4O.C19H18N6O2S.C19H17N5O/c1-14(2)15-3-7-17(8-4-15)24-20-21-23-13-19(25(21)12-11-22-20)16-5-9-18(26)10-6-16;1-28(26,27)24-16-6-2-5-15(10-16)17-13-23-19-18(21-8-9-25(17)19)22-12-14-4-3-7-20-11-14;25-16-5-1-4-15(11-16)17-13-23-19-18(22-9-10-24(17)19)21-8-6-14-3-2-7-20-12-14/h3-14,26H,1-2H3,(H,22,24);2-11,13,24H,12H2,1H3,(H,21,22);1-5,7,9-13,25H,6,8H2,(H,21,22)
InChIKeyBHZHGGFUAXMWQQ-UHFFFAOYSA-N
XLogP10.90
TPSA239.07 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001070.26
LogP ≤ 510.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-[3-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
CID 155564964
methane;2-[4-[4-[(E)-2-pyridin-4-ylethenyl]pyrimidin-2-yl]pyrimidin-2-yl]-1,3-dihydroisoindol-5-ol;[2-[4-[4-[(E)-2-pyridin-4-ylethenyl]pyrimidin-2-yl]pyrimidin-2-yl]-1,3-dihydroisoindol-5-yl] trifluoromethanesulfonate
CID 158027099
6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 159711577
N,N-diethylethanamine;3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]benzimidazole;3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]benzimidazol-8-ol;[3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]benzimidazol-8-yl] trifluoromethanesulfonate
CID 159846441
N-[[3-[2-[[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-[3-[2-[[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]-[3-[2-[2-(3-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-[2-(4-hydroxyphenyl)ethyl]amino]pyrimidin-4-yl]phenyl]methyl]-[2-(4-hydroxyphenyl)ethyl]amino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 139292664
3-[7-(Dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
CID 157089925
8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide
CID 157224163
4-[[[3-[4-(Hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 157323305
4-[[[3-(4-Fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 157394366
3-(3,4-dimethoxyphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[8-[(2-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 157575144
5-(4-methyl-3-pyridinyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-(5-methyl-3-pyridinyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol
CID 157824552
3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine
CID 158015660

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide?
The IUPAC name of 4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide (CID 157355064) is 4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for 4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for 4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide is CC(C)c1ccc(Nc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.CS(=O)(=O)Nc1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1.Oc1cccc(-c2cnc3c(NCCc4cccnc4)nccn23)c1.
What is the InChIKey of 4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide?
The InChIKey is BHZHGGFUAXMWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O.C19H18N6O2S.C19H17N5O/c1-14(2)15-3-7-17(8-4-15)24-20-21-23-13-19(25(21)12-11-22-20)16-5-9-18(26)10-6-16;1-28(26,27)24-16-6-2-5-15(10-16)17-13-23-19-18(21-8-9-25(17)19)22-12-14-4-3-7-20-11-14;25-16-5-1-4-15(11-16)17-13-23-19-18(22-9-10-24(17)19)21-8-6-14-3-2-7-20-12-14/h3-14,26H,1-2H3,(H,22,24);2-11,13,24H,12H2,1H3,(H,21,22);1-5,7,9-13,25H,6,8H2,(H,21,22).
What are the key properties of 4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide?
4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide has a molecular weight of 1070.26 g/mol, XLogP of 10.90, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 157355064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).