4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate

C72H76ClN19O7 — CID 159002378

About 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate

4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate (PubChem CID 159002378) has the molecular formula C72H76ClN19O7 and a molecular weight of 1354.98 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-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate.

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-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate
• PubChem CID: 159002378
• Molecular Formula: C72H76ClN19O7
• Molecular Weight: 1354.98 g/mol
• Exact Mass: 1353.59
• IUPAC Name: 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate
• SMILES: CC(C)Oc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)[nH]c12.CNC(=O)C1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)ncnn23)CC1.COc1cccc2cc(-c3nc(C4CCN(C(=O)OCc5ccccc5)CC4)n4ncnc(N)c34)[nH]c12
• InChI: InChI=1S/C27H27N7O3.C24H27N5O3.C21H22ClN7O/c1-36-21-9-5-8-19-14-20(31-22(19)21)23-24-25(28)29-16-30-34(24)26(32-23)18-10-12-33(13-11-18)27(35)37-15-17-6-3-2-4-7-17;1-13(2)32-18-5-3-4-16-12-17(27-19(16)18)20-21-22(25)26-10-11-29(21)23(28-20)14-6-8-15(9-7-14)24(30)31;1-24-21(30)12-7-5-11(6-8-12)20-28-17(18-19(23)25-10-26-29(18)20)15-9-13-3-2-4-14(22)16(13)27-15/h2-9,14,16,18,31H,10-13,15H2,1H3,(H2,28,29,30);3-5,10-15,27H,6-9H2,1-2H3,(H2,25,26)(H,30,31);2-4,9-12,27H,5-8H2,1H3,(H,24,30)(H2,23,25,26)
• InChIKey: JRMMAJWPZBFEBP-UHFFFAOYSA-N
• XLogP: 12.51
• TPSA: 356.18 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1354.98
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	8
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-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate?

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-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate (CID 159002378) is 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate.

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-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate?

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-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate is CC(C)Oc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)[nH]c12.CNC(=O)C1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)ncnn23)CC1.COc1cccc2cc(-c3nc(C4CCN(C(=O)OCc5ccccc5)CC4)n4ncnc(N)c34)[nH]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-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate?

The InChIKey is JRMMAJWPZBFEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3.C24H27N5O3.C21H22ClN7O/c1-36-21-9-5-8-19-14-20(31-22(19)21)23-24-25(28)29-16-30-34(24)26(32-23)18-10-12-33(13-11-18)27(35)37-15-17-6-3-2-4-7-17;1-13(2)32-18-5-3-4-16-12-17(27-19(16)18)20-21-22(25)26-10-11-29(21)23(28-20)14-6-8-15(9-7-14)24(30)31;1-24-21(30)12-7-5-11(6-8-12)20-28-17(18-19(23)25-10-26-29(18)20)15-9-13-3-2-4-14(22)16(13)27-15/h2-9,14,16,18,31H,10-13,15H2,1H3,(H2,28,29,30);3-5,10-15,27H,6-9H2,1-2H3,(H2,25,26)(H,30,31);2-4,9-12,27H,5-8H2,1H3,(H,24,30)(H2,23,25,26).

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-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate?

4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate has a molecular weight of 1354.98 g/mol, XLogP of 12.51, 13 rotatable bonds, 8 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-methylcyclohexane-1-carboxamide;4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;benzyl 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 159002378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).