7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol

C96H100FN13O3S2 — CID 158977109

About 7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol

7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol (PubChem CID 158977109) has the molecular formula C96H100FN13O3S2 and a molecular weight of 1567.08 g/mol. Its IUPAC name is 7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol.

Molecular Properties

• Compound Name: 7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol
• PubChem CID: 158977109
• Molecular Formula: C96H100FN13O3S2
• Molecular Weight: 1567.08 g/mol
• Exact Mass: 1565.75
• IUPAC Name: 7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol
• SMILES: C.CC(C)(O)c1ccc2c(c1)CC(c1n[nH]c3ccsc13)=C2.CCC(O)(CC)c1ccc2c(c1)CC(c1n[nH]c3cc(C(C)F)sc13)=C2.Cc1ccc2c(c1)CC(C1=NCc3ccc(NC4CCNC4)cc31)=C2.O=c1[nH]c2cc3nc(-c4ccc(-c5ccncc5)cc4)n(CCCN4CCCCC4)c3cc2nc1Cc1ccccc1
• InChI: InChI=1S/C35H34N6O.C22H23N3.C21H23FN2OS.C17H16N2OS.CH4/c42-35-32(22-25-8-3-1-4-9-25)37-30-24-33-31(23-29(30)39-35)38-34(41(33)21-7-20-40-18-5-2-6-19-40)28-12-10-26(11-13-28)27-14-16-36-17-15-27;1-14-2-3-15-9-18(10-17(15)8-14)22-21-11-19(5-4-16(21)12-24-22)25-20-6-7-23-13-20;1-4-21(25,5-2)16-7-6-13-8-15(9-14(13)10-16)19-20-17(23-24-19)11-18(26-20)12(3)22;1-17(2,20)13-4-3-10-7-12(8-11(10)9-13)15-16-14(18-19-15)5-6-21-16;/h1,3-4,8-17,23-24H,2,5-7,18-22H2,(H,39,42);2-5,8-9,11,20,23,25H,6-7,10,12-13H2,1H3;6-8,10-12,25H,4-5,9H2,1-3H3,(H,23,24);3-7,9,20H,8H2,1-2H3,(H,18,19);1H4
• InChIKey: JONKCHMHGVRZTF-UHFFFAOYSA-N
• XLogP: 20.52
• TPSA: 213.94 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1567.08
LogP ≤ 5	20.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol?

The IUPAC name of 7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol (CID 158977109) is 7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol.

What is the SMILES notation for 7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol?

The canonical SMILES for 7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol is C.CC(C)(O)c1ccc2c(c1)CC(c1n[nH]c3ccsc13)=C2.CCC(O)(CC)c1ccc2c(c1)CC(c1n[nH]c3cc(C(C)F)sc13)=C2.Cc1ccc2c(c1)CC(C1=NCc3ccc(NC4CCNC4)cc31)=C2.O=c1[nH]c2cc3nc(-c4ccc(-c5ccncc5)cc4)n(CCCN4CCCCC4)c3cc2nc1Cc1ccccc1.

What is the InChIKey of 7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol?

The InChIKey is JONKCHMHGVRZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O.C22H23N3.C21H23FN2OS.C17H16N2OS.CH4/c42-35-32(22-25-8-3-1-4-9-25)37-30-24-33-31(23-29(30)39-35)38-34(41(33)21-7-20-40-18-5-2-6-19-40)28-12-10-26(11-13-28)27-14-16-36-17-15-27;1-14-2-3-15-9-18(10-17(15)8-14)22-21-11-19(5-4-16(21)12-24-22)25-20-6-7-23-13-20;1-4-21(25,5-2)16-7-6-13-8-15(9-14(13)10-16)19-20-17(23-24-19)11-18(26-20)12(3)22;1-17(2,20)13-4-3-10-7-12(8-11(10)9-13)15-16-14(18-19-15)5-6-21-16;/h1,3-4,8-17,23-24H,2,5-7,18-22H2,(H,39,42);2-5,8-9,11,20,23,25H,6-7,10,12-13H2,1H3;6-8,10-12,25H,4-5,9H2,1-3H3,(H,23,24);3-7,9,20H,8H2,1-2H3,(H,18,19);1H4.

What are the key properties of 7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol?

7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol has a molecular weight of 1567.08 g/mol, XLogP of 20.52, 18 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;3-(6-methyl-1H-inden-2-yl)-N-pyrrolidin-3-yl-1H-isoindol-5-amine;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol is sourced from PubChem (CID 158977109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).