4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane

C83H87ClN20O6 — CID 158473686

About 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane

4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane (PubChem CID 158473686) has the molecular formula C83H87ClN20O6 and a molecular weight of 1496.20 g/mol. Its IUPAC name is 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane.

Molecular Properties

• Compound Name: 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane
• PubChem CID: 158473686
• Molecular Formula: C83H87ClN20O6
• Molecular Weight: 1496.20 g/mol
• Exact Mass: 1494.68
• IUPAC Name: 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane
• SMILES: C.C.CC(C)c1cccc(-c2cccc3cc(-c4nc(C5CCC(C(=O)O)CC5)n5ncnc(N)c45)[nH]c23)c1.Cc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(Cl)c5[nH]4)c4c(N)ncnn34)CC2)cn1.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccc(O)cc5)c4[nH]3)c12
• InChI: InChI=1S/C29H30N6O2.C26H25ClN8O.C26H24N6O3.2CH4/c1-16(2)19-5-3-6-20(13-19)22-8-4-7-21-14-23(33-24(21)22)25-26-27(30)31-15-32-35(26)28(34-25)17-9-11-18(12-10-17)29(36)37;1-14-5-10-18(12-29-14)32-26(36)16-8-6-15(7-9-16)25-34-22(23-24(28)30-13-31-35(23)25)20-11-17-3-2-4-19(27)21(17)33-20;27-24-23-22(31-25(32(23)29-13-28-24)15-4-6-16(7-5-15)26(34)35)20-12-17-2-1-3-19(21(17)30-20)14-8-10-18(33)11-9-14;;/h3-8,13-18,33H,9-12H2,1-2H3,(H,36,37)(H2,30,31,32);2-5,10-13,15-16,33H,6-9H2,1H3,(H,32,36)(H2,28,30,31);1-3,8-13,15-16,30,33H,4-7H2,(H,34,35)(H2,27,28,29);2*1H4
• InChIKey: HGQYDWDAVUORKR-UHFFFAOYSA-N
• XLogP: 16.99
• TPSA: 391.49 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1496.20
LogP ≤ 5	16.99
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane?

The IUPAC name of 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane (CID 158473686) is 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane.

What is the SMILES notation for 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane?

The canonical SMILES for 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane is C.C.CC(C)c1cccc(-c2cccc3cc(-c4nc(C5CCC(C(=O)O)CC5)n5ncnc(N)c45)[nH]c23)c1.Cc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(Cl)c5[nH]4)c4c(N)ncnn34)CC2)cn1.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccc(O)cc5)c4[nH]3)c12.

What is the InChIKey of 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane?

The InChIKey is HGQYDWDAVUORKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2.C26H25ClN8O.C26H24N6O3.2CH4/c1-16(2)19-5-3-6-20(13-19)22-8-4-7-21-14-23(33-24(21)22)25-26-27(30)31-15-32-35(26)28(34-25)17-9-11-18(12-10-17)29(36)37;1-14-5-10-18(12-29-14)32-26(36)16-8-6-15(7-9-16)25-34-22(23-24(28)30-13-31-35(23)25)20-11-17-3-2-4-19(27)21(17)33-20;27-24-23-22(31-25(32(23)29-13-28-24)15-4-6-16(7-5-15)26(34)35)20-12-17-2-1-3-19(21(17)30-20)14-8-10-18(33)11-9-14;;/h3-8,13-18,33H,9-12H2,1-2H3,(H,36,37)(H2,30,31,32);2-5,10-13,15-16,33H,6-9H2,1H3,(H,32,36)(H2,28,30,31);1-3,8-13,15-16,30,33H,4-7H2,(H,34,35)(H2,27,28,29);2*1H4.

What are the key properties of 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane?

4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane has a molecular weight of 1496.20 g/mol, XLogP of 16.99, 13 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane is sourced from PubChem (CID 158473686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).