3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one

C118H124N20O13 — CID 157398013

IUPAC3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one
SMILESCCCN1CCC(c2ccc3cc(-c4cn5cc(C)nc(C)c5n4)c(=O)oc3c2)CC1.Cc1cc2oc(-c3cc4ccc(N5CCN(C(C)C)CC5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(C5CCN(C)CC5)cc4oc3=O)nc2cn1.Cc1cn2cc(-c3cc4ccc(C5CCN(CCO)CC5)cc4oc3=O)nc2cn1.Cc1cn2cc(-c3cc4ccc(N5CCN(C6COC6)CC5)cc4oc3=O)nc2cn1
InChIInChI=1S/C25H28N4O2.C25H27N3O3.C23H23N5O3.C23H24N4O3.C22H22N4O2/c1-4-9-28-10-7-18(8-11-28)19-5-6-20-12-21(25(30)31-23(20)13-19)22-15-29-14-16(2)26-17(3)24(29)27-22;1-15(2)27-7-9-28(10-8-27)19-6-5-18-12-21(25(29)31-22(18)13-19)24-14-20-17(4)26-16(3)11-23(20)30-24;1-15-11-28-12-20(25-22(28)10-24-15)19-8-16-2-3-17(9-21(16)31-23(19)29)26-4-6-27(7-5-26)18-13-30-14-18;1-15-13-27-14-20(25-22(27)12-24-15)19-10-18-3-2-17(11-21(18)30-23(19)29)16-4-6-26(7-5-16)8-9-28;1-14-12-26-13-19(24-21(26)11-23-14)18-9-17-4-3-16(10-20(17)28-22(18)27)15-5-7-25(2)8-6-15/h5-6,12-15,18H,4,7-11H2,1-3H3;5-6,11-15H,7-10H2,1-4H3;2-3,8-12,18H,4-7,13-14H2,1H3;2-3,10-14,16,28H,4-9H2,1H3;3-4,9-13,15H,5-8H2,1-2H3
InChIKeyBMUPIZDNSRUHDW-UHFFFAOYSA-N
MW2030.42 g/mol
LogP18.39
Rot. Bonds16

About 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one

3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one (PubChem CID 157398013) has the molecular formula C118H124N20O13 and a molecular weight of 2030.42 g/mol. Its IUPAC name is 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one.

Molecular Properties

Compound Name3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one
PubChem CID157398013
Molecular FormulaC118H124N20O13
Molecular Weight2030.42 g/mol
Exact Mass2028.97
IUPAC Name3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one
SMILESCCCN1CCC(c2ccc3cc(-c4cn5cc(C)nc(C)c5n4)c(=O)oc3c2)CC1.Cc1cc2oc(-c3cc4ccc(N5CCN(C(C)C)CC5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(C5CCN(C)CC5)cc4oc3=O)nc2cn1.Cc1cn2cc(-c3cc4ccc(C5CCN(CCO)CC5)cc4oc3=O)nc2cn1.Cc1cn2cc(-c3cc4ccc(N5CCN(C6COC6)CC5)cc4oc3=O)nc2cn1
InChIInChI=1S/C25H28N4O2.C25H27N3O3.C23H23N5O3.C23H24N4O3.C22H22N4O2/c1-4-9-28-10-7-18(8-11-28)19-5-6-20-12-21(25(30)31-23(20)13-19)22-15-29-14-16(2)26-17(3)24(29)27-22;1-15(2)27-7-9-28(10-8-27)19-6-5-18-12-21(25(29)31-22(18)13-19)24-14-20-17(4)26-16(3)11-23(20)30-24;1-15-11-28-12-20(25-22(28)10-24-15)19-8-16-2-3-17(9-21(16)31-23(19)29)26-4-6-27(7-5-26)18-13-30-14-18;1-15-13-27-14-20(25-22(27)12-24-15)19-10-18-3-2-17(11-21(18)30-23(19)29)16-4-6-26(7-5-16)8-9-28;1-14-12-26-13-19(24-21(26)11-23-14)18-9-17-4-3-16(10-20(17)28-22(18)27)15-5-7-25(2)8-6-15/h5-6,12-15,18H,4,7-11H2,1-3H3;5-6,11-15H,7-10H2,1-4H3;2-3,8-12,18H,4-7,13-14H2,1H3;2-3,10-14,16,28H,4-9H2,1H3;3-4,9-13,15H,5-8H2,1-2H3
InChIKeyBMUPIZDNSRUHDW-UHFFFAOYSA-N
XLogP18.39
TPSA349.98 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds16
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002030.42
LogP ≤ 518.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one?
The IUPAC name of 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one (CID 157398013) is 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one.
What is the SMILES notation for 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one?
The canonical SMILES for 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one is CCCN1CCC(c2ccc3cc(-c4cn5cc(C)nc(C)c5n4)c(=O)oc3c2)CC1.Cc1cc2oc(-c3cc4ccc(N5CCN(C(C)C)CC5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(C5CCN(C)CC5)cc4oc3=O)nc2cn1.Cc1cn2cc(-c3cc4ccc(C5CCN(CCO)CC5)cc4oc3=O)nc2cn1.Cc1cn2cc(-c3cc4ccc(N5CCN(C6COC6)CC5)cc4oc3=O)nc2cn1.
What is the InChIKey of 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one?
The InChIKey is BMUPIZDNSRUHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2.C25H27N3O3.C23H23N5O3.C23H24N4O3.C22H22N4O2/c1-4-9-28-10-7-18(8-11-28)19-5-6-20-12-21(25(30)31-23(20)13-19)22-15-29-14-16(2)26-17(3)24(29)27-22;1-15(2)27-7-9-28(10-8-27)19-6-5-18-12-21(25(29)31-22(18)13-19)24-14-20-17(4)26-16(3)11-23(20)30-24;1-15-11-28-12-20(25-22(28)10-24-15)19-8-16-2-3-17(9-21(16)31-23(19)29)26-4-6-27(7-5-26)18-13-30-14-18;1-15-13-27-14-20(25-22(27)12-24-15)19-10-18-3-2-17(11-21(18)30-23(19)29)16-4-6-26(7-5-16)8-9-28;1-14-12-26-13-19(24-21(26)11-23-14)18-9-17-4-3-16(10-20(17)28-22(18)27)15-5-7-25(2)8-6-15/h5-6,12-15,18H,4,7-11H2,1-3H3;5-6,11-15H,7-10H2,1-4H3;2-3,8-12,18H,4-7,13-14H2,1H3;2-3,10-14,16,28H,4-9H2,1H3;3-4,9-13,15H,5-8H2,1-2H3.
What are the key properties of 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one?
3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one has a molecular weight of 2030.42 g/mol, XLogP of 18.39, 16 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)chromen-2-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(oxetan-3-yl)piperazin-1-yl]chromen-2-one is sourced from PubChem (CID 157398013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).