4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid

C75H76ClN19O6S — CID 158844670

About 4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid

4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid (PubChem CID 158844670) has the molecular formula C75H76ClN19O6S and a molecular weight of 1407.08 g/mol. Its IUPAC name is 4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
• PubChem CID: 158844670
• Molecular Formula: C75H76ClN19O6S
• Molecular Weight: 1407.08 g/mol
• Exact Mass: 1405.56
• IUPAC Name: 4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
• SMILES: CCN(CC)C(=O)N1CCC(c2nc(-c3cc4cccc(OC)c4[nH]3)c3c(N)ncnn23)CC1.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccsc5)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccc(Cl)cc5)c4[nH]3)c12
• InChI: InChI=1S/C26H23ClN6O2.C25H23N5O2S.C24H30N8O2/c27-18-10-8-14(9-11-18)19-3-1-2-17-12-20(31-21(17)19)22-23-24(28)29-13-30-33(23)25(32-22)15-4-6-16(7-5-15)26(34)35;26-23-22-21(19-12-16-2-1-3-18(20(16)28-19)17-8-11-33-13-17)29-24(30(22)10-9-27-23)14-4-6-15(7-5-14)25(31)32;1-4-30(5-2)24(33)31-11-9-15(10-12-31)23-29-20(21-22(25)26-14-27-32(21)23)17-13-16-7-6-8-18(34-3)19(16)28-17/h1-3,8-13,15-16,31H,4-7H2,(H,34,35)(H2,28,29,30);1-3,8-15,28H,4-7H2,(H2,26,27)(H,31,32);6-8,13-15,28H,4-5,9-12H2,1-3H3,(H2,25,26,27)
• InChIKey: IYRCDTZFBNBVRC-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 349.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1407.08
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?

The IUPAC name of 4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid (CID 158844670) is 4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?

The canonical SMILES for 4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid is CCN(CC)C(=O)N1CCC(c2nc(-c3cc4cccc(OC)c4[nH]3)c3c(N)ncnn23)CC1.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccsc5)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccc(Cl)cc5)c4[nH]3)c12.

What is the InChIKey of 4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?

The InChIKey is IYRCDTZFBNBVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O2.C25H23N5O2S.C24H30N8O2/c27-18-10-8-14(9-11-18)19-3-1-2-17-12-20(31-21(17)19)22-23-24(28)29-13-30-33(23)25(32-22)15-4-6-16(7-5-15)26(34)35;26-23-22-21(19-12-16-2-1-3-18(20(16)28-19)17-8-11-33-13-17)29-24(30(22)10-9-27-23)14-4-6-15(7-5-14)25(31)32;1-4-30(5-2)24(33)31-11-9-15(10-12-31)23-29-20(21-22(25)26-14-27-32(21)23)17-13-16-7-6-8-18(34-3)19(16)28-17/h1-3,8-13,15-16,31H,4-7H2,(H,34,35)(H2,28,29,30);1-3,8-15,28H,4-7H2,(H2,26,27)(H,31,32);6-8,13-15,28H,4-5,9-12H2,1-3H3,(H2,25,26,27).

What are the key properties of 4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?

4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid has a molecular weight of 1407.08 g/mol, XLogP of 14.58, 13 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 158844670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).