1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile

C137H173F12N35O6S2 — CID 159044865

About 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile

1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile (PubChem CID 159044865) has the molecular formula C137H173F12N35O6S2 and a molecular weight of 2698.24 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile.

Molecular Properties

• Compound Name: 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
• PubChem CID: 159044865
• Molecular Formula: C137H173F12N35O6S2
• Molecular Weight: 2698.24 g/mol
• Exact Mass: 2696.36
• IUPAC Name: 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
• SMILES: CC(=O)N1CCN(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6c5CCN(CC(F)(F)F)C6)CC4)ccc32)CC1.Cc1c(CN2CCC(Nc3ncnc4c3CCN(CC(F)(F)F)C4)CC2)ccc2c1cc(C#N)n2CCC1CCN(S(C)(=O)=O)CC1.Cc1c(CN2CCC(Nc3ncnc4c3CCN(CC(F)(F)F)C4)CC2)ccc2c1cc(C#N)n2CCN1CCN(C(=O)Cc2ccccc2)CC1.Cc1c(CN2CCC(Nc3ncnc4c3CCN(CC(F)(F)F)C4)CC2)ccc2c1cc(C#N)n2CCN1CCN(S(C)(=O)=O)CC1
• InChI: InChI=1S/C39H46F3N9O.C33H42F3N9O.C33H43F3N8O2S.C32H42F3N9O2S/c1-28-30(24-48-12-9-31(10-13-48)46-38-33-11-14-49(26-39(40,41)42)25-35(33)44-27-45-38)7-8-36-34(28)22-32(23-43)51(36)20-17-47-15-18-50(19-16-47)37(52)21-29-5-3-2-4-6-29;1-23-25(3-4-31-29(23)17-27(18-37)45(31)16-13-41-11-14-44(15-12-41)24(2)46)19-42-8-5-26(6-9-42)40-32-28-7-10-43(21-33(34,35)36)20-30(28)38-22-39-32;1-23-25(3-4-31-29(23)17-27(18-37)44(31)16-7-24-5-14-43(15-6-24)47(2,45)46)19-41-11-8-26(9-12-41)40-32-28-10-13-42(21-33(34,35)36)20-30(28)38-22-39-32;1-23-24(3-4-30-28(23)17-26(18-36)44(30)16-13-40-11-14-43(15-12-40)47(2,45)46)19-41-8-5-25(6-9-41)39-31-27-7-10-42(21-32(33,34)35)20-29(27)37-22-38-31/h2-8,22,27,31H,9-21,24-26H2,1H3,(H,44,45,46);3-4,17,22,26H,5-16,19-21H2,1-2H3,(H,38,39,40);3-4,17,22,24,26H,5-16,19-21H2,1-2H3,(H,38,39,40);3-4,17,22,25H,5-16,19-21H2,1-2H3,(H,37,38,39)
• InChIKey: JWNGYMUYDGOLLW-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 417.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2698.24
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?

The IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile (CID 159044865) is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile.

What is the SMILES notation for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?

The canonical SMILES for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile is CC(=O)N1CCN(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6c5CCN(CC(F)(F)F)C6)CC4)ccc32)CC1.Cc1c(CN2CCC(Nc3ncnc4c3CCN(CC(F)(F)F)C4)CC2)ccc2c1cc(C#N)n2CCC1CCN(S(C)(=O)=O)CC1.Cc1c(CN2CCC(Nc3ncnc4c3CCN(CC(F)(F)F)C4)CC2)ccc2c1cc(C#N)n2CCN1CCN(C(=O)Cc2ccccc2)CC1.Cc1c(CN2CCC(Nc3ncnc4c3CCN(CC(F)(F)F)C4)CC2)ccc2c1cc(C#N)n2CCN1CCN(S(C)(=O)=O)CC1.

What is the InChIKey of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?

The InChIKey is JWNGYMUYDGOLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46F3N9O.C33H42F3N9O.C33H43F3N8O2S.C32H42F3N9O2S/c1-28-30(24-48-12-9-31(10-13-48)46-38-33-11-14-49(26-39(40,41)42)25-35(33)44-27-45-38)7-8-36-34(28)22-32(23-43)51(36)20-17-47-15-18-50(19-16-47)37(52)21-29-5-3-2-4-6-29;1-23-25(3-4-31-29(23)17-27(18-37)45(31)16-13-41-11-14-44(15-12-41)24(2)46)19-42-8-5-26(6-9-42)40-32-28-7-10-43(21-33(34,35)36)20-30(28)38-22-39-32;1-23-25(3-4-31-29(23)17-27(18-37)44(31)16-7-24-5-14-43(15-6-24)47(2,45)46)19-41-11-8-26(9-12-41)40-32-28-10-13-42(21-33(34,35)36)20-30(28)38-22-39-32;1-23-24(3-4-30-28(23)17-26(18-36)44(30)16-13-40-11-14-43(15-12-40)47(2,45)46)19-41-8-5-25(6-9-41)39-31-27-7-10-42(21-32(33,34)35)20-29(27)37-22-38-31/h2-8,22,27,31H,9-21,24-26H2,1H3,(H,44,45,46);3-4,17,22,26H,5-16,19-21H2,1-2H3,(H,38,39,40);3-4,17,22,24,26H,5-16,19-21H2,1-2H3,(H,38,39,40);3-4,17,22,25H,5-16,19-21H2,1-2H3,(H,37,38,39).

What are the key properties of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?

1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile has a molecular weight of 2698.24 g/mol, XLogP of 16.62, 36 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile is sourced from PubChem (CID 159044865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).