1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole

C91H105F4N13O5S — CID 167642245

About 1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole

1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 167642245) has the molecular formula C91H105F4N13O5S and a molecular weight of 1568.99 g/mol. Its IUPAC name is 1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole
• PubChem CID: 167642245
• Molecular Formula: C91H105F4N13O5S
• Molecular Weight: 1568.99 g/mol
• Exact Mass: 1567.80
• IUPAC Name: 1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole
• SMILES: COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(F)c(F)c2)CC1.COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(F)cc2F)CC1.COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2scnc2C)CC1.COc1cccc(CN2CCC3(CC2)NCCc2c3[nH]c3ccc(OC)cc23)c1
• InChI: InChI=1S/C24H29N3O2.2C23H25F2N3O.C21H26N4OS/c1-28-18-5-3-4-17(14-18)16-27-12-9-24(10-13-27)23-20(8-11-25-24)21-15-19(29-2)6-7-22(21)26-23;1-29-16-3-5-21-18(13-16)17-6-9-26-23(22(17)27-21)7-10-28(11-8-23)14-15-2-4-19(24)20(25)12-15;1-29-17-4-5-21-19(13-17)18-6-9-26-23(22(18)27-21)7-10-28(11-8-23)14-15-2-3-16(24)12-20(15)25;1-14-19(27-13-22-14)12-25-9-6-21(7-10-25)20-16(5-8-23-21)17-11-15(26-2)3-4-18(17)24-20/h3-7,14-15,25-26H,8-13,16H2,1-2H3;2*2-5,12-13,26-27H,6-11,14H2,1H3;3-4,11,13,23-24H,5-10,12H2,1-2H3
• InChIKey: PIGLDGLZSQMBEJ-UHFFFAOYSA-N
• XLogP: 15.58
• TPSA: 183.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1568.99
LogP ≤ 5	15.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole?

The IUPAC name of 1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole (CID 167642245) is 1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole.

What is the SMILES notation for 1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole?

The canonical SMILES for 1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole is COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(F)c(F)c2)CC1.COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(F)cc2F)CC1.COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2scnc2C)CC1.COc1cccc(CN2CCC3(CC2)NCCc2c3[nH]c3ccc(OC)cc23)c1.

What is the InChIKey of 1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole?

The InChIKey is PIGLDGLZSQMBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2.2C23H25F2N3O.C21H26N4OS/c1-28-18-5-3-4-17(14-18)16-27-12-9-24(10-13-27)23-20(8-11-25-24)21-15-19(29-2)6-7-22(21)26-23;1-29-16-3-5-21-18(13-16)17-6-9-26-23(22(17)27-21)7-10-28(11-8-23)14-15-2-4-19(24)20(25)12-15;1-29-17-4-5-21-19(13-17)18-6-9-26-23(22(18)27-21)7-10-28(11-8-23)14-15-2-3-16(24)12-20(15)25;1-14-19(27-13-22-14)12-25-9-6-21(7-10-25)20-16(5-8-23-21)17-11-15(26-2)3-4-18(17)24-20/h3-7,14-15,25-26H,8-13,16H2,1-2H3;2*2-5,12-13,26-27H,6-11,14H2,1H3;3-4,11,13,23-24H,5-10,12H2,1-2H3.

What are the key properties of 1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole?

1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 1568.99 g/mol, XLogP of 15.58, 13 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 167642245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).