5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C105H95F6N15OS2 — CID 157154516

About 5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 157154516) has the molecular formula C105H95F6N15OS2 and a molecular weight of 1761.14 g/mol. Its IUPAC name is 5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 157154516
• Molecular Formula: C105H95F6N15OS2
• Molecular Weight: 1761.14 g/mol
• Exact Mass: 1759.72
• IUPAC Name: 5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: Cc1c(C=O)ccc2c1cc(C#N)n2CC1(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)CC1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC1(c2ccc(CC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)CC1.FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1
• InChI: InChI=1S/C53H48F3N7S.C39H32N4O.C13H15F3N4S/c1-36-37(33-62-25-21-42(22-26-62)61-49-47-28-45(30-53(54,55)56)64-50(47)60-35-59-49)17-20-48-46(36)27-44(31-57)63(48)34-51(23-24-51)41-18-19-43(58-32-41)29-52(38-11-5-2-6-12-38,39-13-7-3-8-14-39)40-15-9-4-10-16-40;1-28-29(26-44)17-19-36-35(28)23-34(24-40)43(36)27-38(21-22-38)33-18-20-37(41-25-33)42-39(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32;14-13(15,16)6-9-5-10-11(18-7-19-12(10)21-9)20-8-1-3-17-4-2-8/h2-20,27-28,32,35,42H,21-26,29-30,33-34H2,1H3,(H,59,60,61);2-20,23,25-26H,21-22,27H2,1H3,(H,41,42);5,7-8,17H,1-4,6H2,(H,18,19,20)
• InChIKey: ALQOELFXXHWUKK-UHFFFAOYSA-N
• XLogP: 22.84
• TPSA: 203.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1761.14
LogP ≤ 5	22.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 157154516) is 5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1c(C=O)ccc2c1cc(C#N)n2CC1(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)CC1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC1(c2ccc(CC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)CC1.FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1.

What is the InChIKey of 5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is ALQOELFXXHWUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48F3N7S.C39H32N4O.C13H15F3N4S/c1-36-37(33-62-25-21-42(22-26-62)61-49-47-28-45(30-53(54,55)56)64-50(47)60-35-59-49)17-20-48-46(36)27-44(31-57)63(48)34-51(23-24-51)41-18-19-43(58-32-41)29-52(38-11-5-2-6-12-38,39-13-7-3-8-14-39)40-15-9-4-10-16-40;1-28-29(26-44)17-19-36-35(28)23-34(24-40)43(36)27-38(21-22-38)33-18-20-37(41-25-33)42-39(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32;14-13(15,16)6-9-5-10-11(18-7-19-12(10)21-9)20-8-1-3-17-4-2-8/h2-20,27-28,32,35,42H,21-26,29-30,33-34H2,1H3,(H,59,60,61);2-20,23,25-26H,21-22,27H2,1H3,(H,41,42);5,7-8,17H,1-4,6H2,(H,18,19,20).

What are the key properties of 5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 1761.14 g/mol, XLogP of 22.84, 25 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-formyl-4-methyl-1-[[1-[6-(tritylamino)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[[1-[6-(2,2,2-triphenylethyl)-3-pyridinyl]cyclopropyl]methyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 157154516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).