7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one

C123H134N22O11 — CID 157477866

IUPAC7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one
SMILESCCCN1CCN(c2ccc3cc(-c4cn5cc(C)nc(C)c5n4)oc(=O)c3c2)CC1.Cc1cn2cc(-c3cc4ccc(N5CCN(C(C)(C)C)CC5)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCN(CCO)CC5)cc4c(=O)o3)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCN6CCC[C@@H]6C5)cc4c(=O)o3)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCN6CCC[C@H]6C5)cc4c(=O)o3)cc2c(C)n1
InChIInChI=1S/C25H29N5O2.2C25H26N4O2.C24H27N5O2.C24H26N4O3/c1-16-14-29-15-21(27-23(29)17(2)26-16)22-12-18-6-7-19(13-20(18)24(31)32-22)28-8-10-30(11-9-28)25(3,4)5;2*1-16-13-29-14-19(10-23(29)17(2)26-16)24-11-18-5-6-20(12-22(18)25(30)31-24)28-9-8-27-7-3-4-21(27)15-28;1-4-7-27-8-10-28(11-9-27)19-6-5-18-12-22(31-24(30)20(18)13-19)21-15-29-14-16(2)25-17(3)23(29)26-21;1-16-14-28-15-19(11-22(28)17(2)25-16)23-12-18-3-4-20(13-21(18)24(30)31-23)27-7-5-26(6-8-27)9-10-29/h6-7,12-15H,8-11H2,1-5H3;2*5-6,10-14,21H,3-4,7-9,15H2,1-2H3;5-6,12-15H,4,7-11H2,1-3H3;3-4,11-15,29H,5-10H2,1-2H3/t;2*21-;;/m.10../s1
InChIKeyBVUQDLBYXSZNDH-YADUDXTGSA-N
MW2096.57 g/mol
LogP18.55
Rot. Bonds14

About 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one

7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one (PubChem CID 157477866) has the molecular formula C123H134N22O11 and a molecular weight of 2096.57 g/mol. Its IUPAC name is 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one.

Molecular Properties

Compound Name7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one
PubChem CID157477866
Molecular FormulaC123H134N22O11
Molecular Weight2096.57 g/mol
Exact Mass2095.06
IUPAC Name7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one
SMILESCCCN1CCN(c2ccc3cc(-c4cn5cc(C)nc(C)c5n4)oc(=O)c3c2)CC1.Cc1cn2cc(-c3cc4ccc(N5CCN(C(C)(C)C)CC5)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCN(CCO)CC5)cc4c(=O)o3)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCN6CCC[C@@H]6C5)cc4c(=O)o3)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCN6CCC[C@H]6C5)cc4c(=O)o3)cc2c(C)n1
InChIInChI=1S/C25H29N5O2.2C25H26N4O2.C24H27N5O2.C24H26N4O3/c1-16-14-29-15-21(27-23(29)17(2)26-16)22-12-18-6-7-19(13-20(18)24(31)32-22)28-8-10-30(11-9-28)25(3,4)5;2*1-16-13-29-14-19(10-23(29)17(2)26-16)24-11-18-5-6-20(12-22(18)25(30)31-24)28-9-8-27-7-3-4-21(27)15-28;1-4-7-27-8-10-28(11-9-27)19-6-5-18-12-22(31-24(30)20(18)13-19)21-15-29-14-16(2)25-17(3)23(29)26-21;1-16-14-28-15-19(11-22(28)17(2)25-16)23-12-18-3-4-20(13-21(18)24(30)31-23)27-7-5-26(6-8-27)9-10-29/h6-7,12-15H,8-11H2,1-5H3;2*5-6,10-14,21H,3-4,7-9,15H2,1-2H3;5-6,12-15H,4,7-11H2,1-3H3;3-4,11-15,29H,5-10H2,1-2H3/t;2*21-;;/m.10../s1
InChIKeyBVUQDLBYXSZNDH-YADUDXTGSA-N
XLogP18.55
TPSA315.96 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds14
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002096.57
LogP ≤ 518.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one with MolForge

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Launch Full Analysis

Related Compounds

7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one
CID 71679454
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one
CID 123602436
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
CID 78147521
7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one
CID 123545740
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]chromen-2-one
CID 123866673
7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one
CID 123542864
3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
CID 78147845
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one
CID 159503103
7-[(3S)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 139460014
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one
CID 123341802
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one
CID 71679779
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 158778464

Frequently Asked Questions

What is the IUPAC name of 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one?
The IUPAC name of 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one (CID 157477866) is 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one.
What is the SMILES notation for 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one?
The canonical SMILES for 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one is CCCN1CCN(c2ccc3cc(-c4cn5cc(C)nc(C)c5n4)oc(=O)c3c2)CC1.Cc1cn2cc(-c3cc4ccc(N5CCN(C(C)(C)C)CC5)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCN(CCO)CC5)cc4c(=O)o3)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCN6CCC[C@@H]6C5)cc4c(=O)o3)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N5CCN6CCC[C@H]6C5)cc4c(=O)o3)cc2c(C)n1.
What is the InChIKey of 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one?
The InChIKey is BVUQDLBYXSZNDH-YADUDXTGSA-N. The full InChI is InChI=1S/C25H29N5O2.2C25H26N4O2.C24H27N5O2.C24H26N4O3/c1-16-14-29-15-21(27-23(29)17(2)26-16)22-12-18-6-7-19(13-20(18)24(31)32-22)28-8-10-30(11-9-28)25(3,4)5;2*1-16-13-29-14-19(10-23(29)17(2)26-16)24-11-18-5-6-20(12-22(18)25(30)31-24)28-9-8-27-7-3-4-21(27)15-28;1-4-7-27-8-10-28(11-9-27)19-6-5-18-12-22(31-24(30)20(18)13-19)21-15-29-14-16(2)25-17(3)23(29)26-21;1-16-14-28-15-19(11-22(28)17(2)25-16)23-12-18-3-4-20(13-21(18)24(30)31-23)27-7-5-26(6-8-27)9-10-29/h6-7,12-15H,8-11H2,1-5H3;2*5-6,10-14,21H,3-4,7-9,15H2,1-2H3;5-6,12-15H,4,7-11H2,1-3H3;3-4,11-15,29H,5-10H2,1-2H3/t;2*21-;;/m.10../s1.
What are the key properties of 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one?
7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one has a molecular weight of 2096.57 g/mol, XLogP of 18.55, 14 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one is sourced from PubChem (CID 157477866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).