4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol

C119H107Cl2F2N29O14S4 — CID 159832651

IUPAC4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
SMILESCOc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc(Cl)c1O.COc1ccc(-c2cnc3c(NCCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1OC.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(F)c(Cl)c4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(F)cc4)cnc23)cc1.OCc1ccc(-c2cnc3c(NCCc4ccncc4)nccn23)cc1.Oc1ccc(-c2cnc3c(NCc4ccccc4)nccn23)cc1
InChIInChI=1S/C22H23N5O4S.C20H18ClN5O4S.C20H19N5O.C19H15ClFN5O2S.C19H16FN5O2S.C19H16N4O/c1-30-19-8-5-16(13-20(19)31-2)18-14-26-22-21(25-11-12-27(18)22)24-10-9-15-3-6-17(7-4-15)32(23,28)29;1-30-17-9-13(8-15(21)18(17)27)16-11-25-20-19(23-6-7-26(16)20)24-10-12-2-4-14(5-3-12)31(22,28)29;26-14-16-1-3-17(4-2-16)18-13-24-20-19(23-11-12-25(18)20)22-10-7-15-5-8-21-9-6-15;20-15-9-13(3-6-16(15)21)17-11-25-19-18(23-7-8-26(17)19)24-10-12-1-4-14(5-2-12)29(22,27)28;20-15-5-3-14(4-6-15)17-12-24-19-18(22-9-10-25(17)19)23-11-13-1-7-16(8-2-13)28(21,26)27;24-16-8-6-15(7-9-16)17-13-22-19-18(20-10-11-23(17)19)21-12-14-4-2-1-3-5-14/h3-8,11-14H,9-10H2,1-2H3,(H,24,25)(H2,23,28,29);2-9,11,27H,10H2,1H3,(H,23,24)(H2,22,28,29);1-6,8-9,11-13,26H,7,10,14H2,(H,22,23);1-9,11H,10H2,(H,23,24)(H2,22,27,28);1-10,12H,11H2,(H,22,23)(H2,21,26,27);1-11,13,24H,12H2,(H,20,21)
InChIKeyNNQRRDFOWKJXPA-UHFFFAOYSA-N
MW2404.52 g/mol
LogP18.63
Rot. Bonds34

About 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol

4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol (PubChem CID 159832651) has the molecular formula C119H107Cl2F2N29O14S4 and a molecular weight of 2404.52 g/mol. Its IUPAC name is 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
PubChem CID159832651
Molecular FormulaC119H107Cl2F2N29O14S4
Molecular Weight2404.52 g/mol
Exact Mass2401.68
IUPAC Name4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
SMILESCOc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc(Cl)c1O.COc1ccc(-c2cnc3c(NCCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1OC.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(F)c(Cl)c4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(F)cc4)cnc23)cc1.OCc1ccc(-c2cnc3c(NCCc4ccncc4)nccn23)cc1.Oc1ccc(-c2cnc3c(NCc4ccccc4)nccn23)cc1
InChIInChI=1S/C22H23N5O4S.C20H18ClN5O4S.C20H19N5O.C19H15ClFN5O2S.C19H16FN5O2S.C19H16N4O/c1-30-19-8-5-16(13-20(19)31-2)18-14-26-22-21(25-11-12-27(18)22)24-10-9-15-3-6-17(7-4-15)32(23,28)29;1-30-17-9-13(8-15(21)18(17)27)16-11-25-20-19(23-6-7-26(16)20)24-10-12-2-4-14(5-3-12)31(22,28)29;26-14-16-1-3-17(4-2-16)18-13-24-20-19(23-11-12-25(18)20)22-10-7-15-5-8-21-9-6-15;20-15-9-13(3-6-16(15)21)17-11-25-19-18(23-7-8-26(17)19)24-10-12-1-4-14(5-2-12)29(22,27)28;20-15-5-3-14(4-6-15)17-12-24-19-18(22-9-10-25(17)19)23-11-13-1-7-16(8-2-13)28(21,26)27;24-16-8-6-15(7-9-16)17-13-22-19-18(20-10-11-23(17)19)21-12-14-4-2-1-3-5-14/h3-8,11-14H,9-10H2,1-2H3,(H,24,25)(H2,23,28,29);2-9,11,27H,10H2,1H3,(H,23,24)(H2,22,28,29);1-6,8-9,11-13,26H,7,10,14H2,(H,22,23);1-9,11H,10H2,(H,23,24)(H2,22,27,28);1-10,12H,11H2,(H,22,23)(H2,21,26,27);1-11,13,24H,12H2,(H,20,21)
InChIKeyNNQRRDFOWKJXPA-UHFFFAOYSA-N
XLogP18.63
TPSA595.23 Ų
H-Bond Donors13
H-Bond Acceptors39
Rotatable Bonds34
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002404.52
LogP ≤ 518.63
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1039

Analyze 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The IUPAC name of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol (CID 159832651) is 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol.
What is the SMILES notation for 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The canonical SMILES for 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol is COc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc(Cl)c1O.COc1ccc(-c2cnc3c(NCCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1OC.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(F)c(Cl)c4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(F)cc4)cnc23)cc1.OCc1ccc(-c2cnc3c(NCCc4ccncc4)nccn23)cc1.Oc1ccc(-c2cnc3c(NCc4ccccc4)nccn23)cc1.
What is the InChIKey of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The InChIKey is NNQRRDFOWKJXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S.C20H18ClN5O4S.C20H19N5O.C19H15ClFN5O2S.C19H16FN5O2S.C19H16N4O/c1-30-19-8-5-16(13-20(19)31-2)18-14-26-22-21(25-11-12-27(18)22)24-10-9-15-3-6-17(7-4-15)32(23,28)29;1-30-17-9-13(8-15(21)18(17)27)16-11-25-20-19(23-6-7-26(16)20)24-10-12-2-4-14(5-3-12)31(22,28)29;26-14-16-1-3-17(4-2-16)18-13-24-20-19(23-11-12-25(18)20)22-10-7-15-5-8-21-9-6-15;20-15-9-13(3-6-16(15)21)17-11-25-19-18(23-7-8-26(17)19)24-10-12-1-4-14(5-2-12)29(22,27)28;20-15-5-3-14(4-6-15)17-12-24-19-18(22-9-10-25(17)19)23-11-13-1-7-16(8-2-13)28(21,26)27;24-16-8-6-15(7-9-16)17-13-22-19-18(20-10-11-23(17)19)21-12-14-4-2-1-3-5-14/h3-8,11-14H,9-10H2,1-2H3,(H,24,25)(H2,23,28,29);2-9,11,27H,10H2,1H3,(H,23,24)(H2,22,28,29);1-6,8-9,11-13,26H,7,10,14H2,(H,22,23);1-9,11H,10H2,(H,23,24)(H2,22,27,28);1-10,12H,11H2,(H,22,23)(H2,21,26,27);1-11,13,24H,12H2,(H,20,21).
What are the key properties of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol has a molecular weight of 2404.52 g/mol, XLogP of 18.63, 34 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol is sourced from PubChem (CID 159832651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).