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

C98H102FN11O3S2 — CID 160591421

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

7-benzyl-2-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one;N-cyclopentyl-3-(6-methyl-1H-inden-2-yl)-1H-isoindol-5-amine;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol (PubChem CID 160591421) has the molecular formula C98H102FN11O3S2 and a molecular weight of 1565.10 g/mol. Its IUPAC name is 7-benzyl-2-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one;N-cyclopentyl-3-(6-methyl-1H-inden-2-yl)-1H-isoindol-5-amine;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol.

Molecular Properties

• Compound Name: 7-benzyl-2-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one;N-cyclopentyl-3-(6-methyl-1H-inden-2-yl)-1H-isoindol-5-amine;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol
• PubChem CID: 160591421
• Molecular Formula: C98H102FN11O3S2
• Molecular Weight: 1565.10 g/mol
• Exact Mass: 1563.76
• IUPAC Name: 7-benzyl-2-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one;N-cyclopentyl-3-(6-methyl-1H-inden-2-yl)-1H-isoindol-5-amine;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;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(NC4CCCC4)cc31)=C2.O=c1[nH]c2cc3nc(-c4ccc(-c5ccccc5)cc4)n(CCCN4CCCCC4)c3cc2nc1Cc1ccccc1
• InChI: InChI=1S/C36H35N5O.C23H24N2.C21H23FN2OS.C17H16N2OS.CH4/c42-36-33(23-26-11-4-1-5-12-26)37-31-25-34-32(24-30(31)39-36)38-35(41(34)22-10-21-40-19-8-3-9-20-40)29-17-15-28(16-18-29)27-13-6-2-7-14-27;1-15-6-7-16-11-19(12-18(16)10-15)23-22-13-21(9-8-17(22)14-24-23)25-20-4-2-3-5-20;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;/h1-2,4-7,11-18,24-25H,3,8-10,19-23H2,(H,39,42);6-11,13,20,25H,2-5,12,14H2,1H3;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: RDBNFFHCDWJZQW-UHFFFAOYSA-N
• XLogP: 22.71
• TPSA: 189.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1565.10
LogP ≤ 5	22.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 7-benzyl-2-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one;N-cyclopentyl-3-(6-methyl-1H-inden-2-yl)-1H-isoindol-5-amine;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol (CID 160591421) is 7-benzyl-2-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one;N-cyclopentyl-3-(6-methyl-1H-inden-2-yl)-1H-isoindol-5-amine;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;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-2-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one;N-cyclopentyl-3-(6-methyl-1H-inden-2-yl)-1H-isoindol-5-amine;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol?

The canonical SMILES for 7-benzyl-2-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one;N-cyclopentyl-3-(6-methyl-1H-inden-2-yl)-1H-isoindol-5-amine;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;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(NC4CCCC4)cc31)=C2.O=c1[nH]c2cc3nc(-c4ccc(-c5ccccc5)cc4)n(CCCN4CCCCC4)c3cc2nc1Cc1ccccc1.

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

The InChIKey is RDBNFFHCDWJZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N5O.C23H24N2.C21H23FN2OS.C17H16N2OS.CH4/c42-36-33(23-26-11-4-1-5-12-26)37-31-25-34-32(24-30(31)39-36)38-35(41(34)22-10-21-40-19-8-3-9-20-40)29-17-15-28(16-18-29)27-13-6-2-7-14-27;1-15-6-7-16-11-19(12-18(16)10-15)23-22-13-21(9-8-17(22)14-24-23)25-20-4-2-3-5-20;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;/h1-2,4-7,11-18,24-25H,3,8-10,19-23H2,(H,39,42);6-11,13,20,25H,2-5,12,14H2,1H3;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-2-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one;N-cyclopentyl-3-(6-methyl-1H-inden-2-yl)-1H-isoindol-5-amine;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol?

7-benzyl-2-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one;N-cyclopentyl-3-(6-methyl-1H-inden-2-yl)-1H-isoindol-5-amine;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol has a molecular weight of 1565.10 g/mol, XLogP of 22.71, 18 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-benzyl-2-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one;N-cyclopentyl-3-(6-methyl-1H-inden-2-yl)-1H-isoindol-5-amine;3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-3H-inden-5-yl]pentan-3-ol;methane;2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-3H-inden-5-yl]propan-2-ol is sourced from PubChem (CID 160591421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).