3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

C60H64N14O9S2 — CID 159131607

IUPAC3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(OC)cc4)cnc23)cc1.COCCCNc1nccn2c(-c3ccc(OC)c(OC)c3)cnc12.COc1ccccc1-c1cnc2c(NCc3ccc(S(N)(=O)=O)cc3)nccn12
InChIInChI=1S/C22H23N5O3S.C20H19N5O3S.C18H22N4O3/c1-3-26-31(28,29)19-10-4-16(5-11-19)14-24-21-22-25-15-20(27(22)13-12-23-21)17-6-8-18(30-2)9-7-17;1-28-18-5-3-2-4-16(18)17-13-24-20-19(22-10-11-25(17)20)23-12-14-6-8-15(9-7-14)29(21,26)27;1-23-10-4-7-19-17-18-21-12-14(22(18)9-8-20-17)13-5-6-15(24-2)16(11-13)25-3/h4-13,15,26H,3,14H2,1-2H3,(H,23,24);2-11,13H,12H2,1H3,(H,22,23)(H2,21,26,27);5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,19,20)
InChIKeyKGYUGCYXTKYEPJ-UHFFFAOYSA-N
MW1189.39 g/mol
LogP8.84
Rot. Bonds22

About 3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 159131607) has the molecular formula C60H64N14O9S2 and a molecular weight of 1189.39 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID159131607
Molecular FormulaC60H64N14O9S2
Molecular Weight1189.39 g/mol
Exact Mass1188.44
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(OC)cc4)cnc23)cc1.COCCCNc1nccn2c(-c3ccc(OC)c(OC)c3)cnc12.COc1ccccc1-c1cnc2c(NCc3ccc(S(N)(=O)=O)cc3)nccn12
InChIInChI=1S/C22H23N5O3S.C20H19N5O3S.C18H22N4O3/c1-3-26-31(28,29)19-10-4-16(5-11-19)14-24-21-22-25-15-20(27(22)13-12-23-21)17-6-8-18(30-2)9-7-17;1-28-18-5-3-2-4-16(18)17-13-24-20-19(22-10-11-25(17)20)23-12-14-6-8-15(9-7-14)29(21,26)27;1-23-10-4-7-19-17-18-21-12-14(22(18)9-8-20-17)13-5-6-15(24-2)16(11-13)25-3/h4-13,15,26H,3,14H2,1-2H3,(H,23,24);2-11,13H,12H2,1H3,(H,22,23)(H2,21,26,27);5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,19,20)
InChIKeyKGYUGCYXTKYEPJ-UHFFFAOYSA-N
XLogP8.84
TPSA279.14 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.39
LogP ≤ 58.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 159131607) is 3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is CCNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(OC)cc4)cnc23)cc1.COCCCNc1nccn2c(-c3ccc(OC)c(OC)c3)cnc12.COc1ccccc1-c1cnc2c(NCc3ccc(S(N)(=O)=O)cc3)nccn12.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is KGYUGCYXTKYEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S.C20H19N5O3S.C18H22N4O3/c1-3-26-31(28,29)19-10-4-16(5-11-19)14-24-21-22-25-15-20(27(22)13-12-23-21)17-6-8-18(30-2)9-7-17;1-28-18-5-3-2-4-16(18)17-13-24-20-19(22-10-11-25(17)20)23-12-14-6-8-15(9-7-14)29(21,26)27;1-23-10-4-7-19-17-18-21-12-14(22(18)9-8-20-17)13-5-6-15(24-2)16(11-13)25-3/h4-13,15,26H,3,14H2,1-2H3,(H,23,24);2-11,13H,12H2,1H3,(H,22,23)(H2,21,26,27);5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,19,20).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 1189.39 g/mol, XLogP of 8.84, 22 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 159131607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).