4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol

C102H96FN23O8S2 — CID 159868905

About 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol

4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol (PubChem CID 159868905) has the molecular formula C102H96FN23O8S2 and a molecular weight of 1855.17 g/mol. Its IUPAC name is 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol.

Molecular Properties

• Compound Name: 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol
• PubChem CID: 159868905
• Molecular Formula: C102H96FN23O8S2
• Molecular Weight: 1855.17 g/mol
• Exact Mass: 1853.72
• IUPAC Name: 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol
• SMILES: CO.Nc1nccn2c(C3CCC(C=O)CC3)nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5cccc(F)c5)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c12
• InChI: InChI=1S/C27H25N5O.C26H23FN6O2.2C24H22N6O2S.CH4O/c28-26-25-24(31-27(32(25)14-13-29-26)19-11-9-17(16-33)10-12-19)22-15-20-7-4-8-21(23(20)30-22)18-5-2-1-3-6-18;27-18-5-1-3-16(11-18)19-6-2-4-17-12-20(31-21(17)19)22-23-24(28)29-13-30-33(23)25(32-22)14-7-9-15(10-8-14)26(34)35;2*25-22-21-20(17-11-15-3-1-4-16(19(15)28-17)18-5-2-10-33-18)29-23(30(21)27-12-26-22)13-6-8-14(9-7-13)24(31)32;1-2/h1-8,13-17,19,30H,9-12H2,(H2,28,29);1-6,11-15,31H,7-10H2,(H,34,35)(H2,28,29,30);2*1-5,10-14,28H,6-9H2,(H,31,32)(H2,25,26,27);2H,1H3
• InChIKey: NSBURWZYQDEUTO-UHFFFAOYSA-N
• XLogP: 20.11
• TPSA: 475.87 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1855.17
LogP ≤ 5	20.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol?

The IUPAC name of 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol (CID 159868905) is 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol.

What is the SMILES notation for 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol?

The canonical SMILES for 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol is CO.Nc1nccn2c(C3CCC(C=O)CC3)nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5cccc(F)c5)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c12.

What is the InChIKey of 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol?

The InChIKey is NSBURWZYQDEUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O.C26H23FN6O2.2C24H22N6O2S.CH4O/c28-26-25-24(31-27(32(25)14-13-29-26)19-11-9-17(16-33)10-12-19)22-15-20-7-4-8-21(23(20)30-22)18-5-2-1-3-6-18;27-18-5-1-3-16(11-18)19-6-2-4-17-12-20(31-21(17)19)22-23-24(28)29-13-30-33(23)25(32-22)14-7-9-15(10-8-14)26(34)35;2*25-22-21-20(17-11-15-3-1-4-16(19(15)28-17)18-5-2-10-33-18)29-23(30(21)27-12-26-22)13-6-8-14(9-7-13)24(31)32;1-2/h1-8,13-17,19,30H,9-12H2,(H2,28,29);1-6,11-15,31H,7-10H2,(H,34,35)(H2,28,29,30);2*1-5,10-14,28H,6-9H2,(H,31,32)(H2,25,26,27);2H,1H3.

What are the key properties of 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol?

4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol has a molecular weight of 1855.17 g/mol, XLogP of 20.11, 16 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbaldehyde;bis(4-[4-amino-5-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid);methanol is sourced from PubChem (CID 159868905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).