4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine

C110H116ClN31O6 — CID 159963699

IUPAC4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCC(=O)NCC1CCC(c2nc(-c3cc4cccc(C)c4[nH]3)c3c(N)ncnn23)CC1.CCc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.CN(C)C(=O)N1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)ncnn23)CC1.COc1cccc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)[nH]c12.Nc1nccn2c(C3CCC3)nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c12
InChIInChI=1S/C24H21N5.C23H27N7O.C22H24N6O2.C21H23ClN8O.C20H21N5O2/c25-23-22-21(28-24(16-8-4-9-16)29(22)13-12-26-23)19-14-17-10-5-11-18(20(17)27-19)15-6-2-1-3-7-15;1-13-4-3-5-17-10-18(28-19(13)17)20-21-22(24)26-12-27-30(21)23(29-20)16-8-6-15(7-9-16)11-25-14(2)31;1-2-12-4-3-5-15-10-16(26-17(12)15)18-19-20(23)24-11-25-28(19)21(27-18)13-6-8-14(9-7-13)22(29)30;1-28(2)21(31)29-8-6-12(7-9-29)20-27-17(18-19(23)24-11-25-30(18)20)15-10-13-4-3-5-14(22)16(13)26-15;1-20(26)9-12(10-20)19-24-16(17-18(21)22-6-7-25(17)19)13-8-11-4-3-5-14(27-2)15(11)23-13/h1-3,5-7,10-14,16,27H,4,8-9H2,(H2,25,26);3-5,10,12,15-16,28H,6-9,11H2,1-2H3,(H,25,31)(H2,24,26,27);3-5,10-11,13-14,26H,2,6-9H2,1H3,(H,29,30)(H2,23,24,25);3-5,10-12,26H,6-9H2,1-2H3,(H2,23,24,25);3-8,12,23,26H,9-10H2,1-2H3,(H2,21,22)
InChIKeyODQPWNLGJRTTCC-UHFFFAOYSA-N
MW2003.80 g/mol
LogP19.21
Rot. Bonds16

About 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine

4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 159963699) has the molecular formula C110H116ClN31O6 and a molecular weight of 2003.80 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,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID159963699
Molecular FormulaC110H116ClN31O6
Molecular Weight2003.80 g/mol
Exact Mass2001.94
IUPAC Name4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCC(=O)NCC1CCC(c2nc(-c3cc4cccc(C)c4[nH]3)c3c(N)ncnn23)CC1.CCc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.CN(C)C(=O)N1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)ncnn23)CC1.COc1cccc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)[nH]c12.Nc1nccn2c(C3CCC3)nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c12
InChIInChI=1S/C24H21N5.C23H27N7O.C22H24N6O2.C21H23ClN8O.C20H21N5O2/c25-23-22-21(28-24(16-8-4-9-16)29(22)13-12-26-23)19-14-17-10-5-11-18(20(17)27-19)15-6-2-1-3-7-15;1-13-4-3-5-17-10-18(28-19(13)17)20-21-22(24)26-12-27-30(21)23(29-20)16-8-6-15(7-9-16)11-25-14(2)31;1-2-12-4-3-5-15-10-16(26-17(12)15)18-19-20(23)24-11-25-28(19)21(27-18)13-6-8-14(9-7-13)22(29)30;1-28(2)21(31)29-8-6-12(7-9-29)20-27-17(18-19(23)24-11-25-30(18)20)15-10-13-4-3-5-14(22)16(13)26-15;1-20(26)9-12(10-20)19-24-16(17-18(21)22-6-7-25(17)19)13-8-11-4-3-5-14(27-2)15(11)23-13/h1-3,5-7,10-14,16,27H,4,8-9H2,(H2,25,26);3-5,10,12,15-16,28H,6-9,11H2,1-2H3,(H,25,31)(H2,24,26,27);3-5,10-11,13-14,26H,2,6-9H2,1H3,(H,29,30)(H2,23,24,25);3-5,10-12,26H,6-9H2,1-2H3,(H2,23,24,25);3-8,12,23,26H,9-10H2,1-2H3,(H2,21,22)
InChIKeyODQPWNLGJRTTCC-UHFFFAOYSA-N
XLogP19.21
TPSA518.08 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002003.80
LogP ≤ 519.21
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Analyze 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine with MolForge

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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,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
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,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine (CID 159963699) is 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine.
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,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
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,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine is CC(=O)NCC1CCC(c2nc(-c3cc4cccc(C)c4[nH]3)c3c(N)ncnn23)CC1.CCc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.CN(C)C(=O)N1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)ncnn23)CC1.COc1cccc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)[nH]c12.Nc1nccn2c(C3CCC3)nc(-c3cc4cccc(-c5ccccc5)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,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is ODQPWNLGJRTTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5.C23H27N7O.C22H24N6O2.C21H23ClN8O.C20H21N5O2/c25-23-22-21(28-24(16-8-4-9-16)29(22)13-12-26-23)19-14-17-10-5-11-18(20(17)27-19)15-6-2-1-3-7-15;1-13-4-3-5-17-10-18(28-19(13)17)20-21-22(24)26-12-27-30(21)23(29-20)16-8-6-15(7-9-16)11-25-14(2)31;1-2-12-4-3-5-15-10-16(26-17(12)15)18-19-20(23)24-11-25-28(19)21(27-18)13-6-8-14(9-7-13)22(29)30;1-28(2)21(31)29-8-6-12(7-9-29)20-27-17(18-19(23)24-11-25-30(18)20)15-10-13-4-3-5-14(22)16(13)26-15;1-20(26)9-12(10-20)19-24-16(17-18(21)22-6-7-25(17)19)13-8-11-4-3-5-14(27-2)15(11)23-13/h1-3,5-7,10-14,16,27H,4,8-9H2,(H2,25,26);3-5,10,12,15-16,28H,6-9,11H2,1-2H3,(H,25,31)(H2,24,26,27);3-5,10-11,13-14,26H,2,6-9H2,1H3,(H,29,30)(H2,23,24,25);3-5,10-12,26H,6-9H2,1-2H3,(H2,23,24,25);3-8,12,23,26H,9-10H2,1-2H3,(H2,21,22).
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,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 2003.80 g/mol, XLogP of 19.21, 16 rotatable bonds, 13 hydrogen bond donors, and 28 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,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;N-[[4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;3-cyclobutyl-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 159963699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).