[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate

C74H72F4N20O5 — CID 159889153

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nc(-c3ccc4ccn(C)c4c3F)c3c(N)nccn23)CC1.Cc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(OC(F)(F)F)c5[nH]4)c4c(N)nccn34)CC2)cn1.Nc1nccn2c(C3CCN(C(=O)c4ncc[nH]4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H26F3N7O2.C23H24FN5O2.C23H22N8O/c1-15-5-10-19(14-34-15)35-27(39)17-8-6-16(7-9-17)26-37-23(24-25(32)33-11-12-38(24)26)20-13-18-3-2-4-21(22(18)36-20)40-28(29,30)31;1-28-11-9-13-7-8-16(17(24)19(13)28)18-20-21(25)26-10-12-29(20)22(27-18)14-3-5-15(6-4-14)23(30)31-2;24-20-19-18(17-13-15-3-1-2-4-16(15)28-17)29-22(31(19)12-9-25-20)14-5-10-30(11-6-14)23(32)21-26-7-8-27-21/h2-5,10-14,16-17,36H,6-9H2,1H3,(H2,32,33)(H,35,39);7-12,14-15H,3-6H2,1-2H3,(H2,25,26);1-4,7-9,12-14,28H,5-6,10-11H2,(H2,24,25)(H,26,27)
InChIKeyNUNDNWYARLJDKR-UHFFFAOYSA-N
MW1397.52 g/mol
LogP13.23
Rot. Bonds11

About [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate (PubChem CID 159889153) has the molecular formula C74H72F4N20O5 and a molecular weight of 1397.52 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
PubChem CID159889153
Molecular FormulaC74H72F4N20O5
Molecular Weight1397.52 g/mol
Exact Mass1396.59
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nc(-c3ccc4ccn(C)c4c3F)c3c(N)nccn23)CC1.Cc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(OC(F)(F)F)c5[nH]4)c4c(N)nccn34)CC2)cn1.Nc1nccn2c(C3CCN(C(=O)c4ncc[nH]4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H26F3N7O2.C23H24FN5O2.C23H22N8O/c1-15-5-10-19(14-34-15)35-27(39)17-8-6-16(7-9-17)26-37-23(24-25(32)33-11-12-38(24)26)20-13-18-3-2-4-21(22(18)36-20)40-28(29,30)31;1-28-11-9-13-7-8-16(17(24)19(13)28)18-20-21(25)26-10-12-29(20)22(27-18)14-3-5-15(6-4-14)23(30)31-2;24-20-19-18(17-13-15-3-1-2-4-16(15)28-17)29-22(31(19)12-9-25-20)14-5-10-30(11-6-14)23(32)21-26-7-8-27-21/h2-5,10-14,16-17,36H,6-9H2,1H3,(H2,32,33)(H,35,39);7-12,14-15H,3-6H2,1-2H3,(H2,25,26);1-4,7-9,12-14,28H,5-6,10-11H2,(H2,24,25)(H,26,27)
InChIKeyNUNDNWYARLJDKR-UHFFFAOYSA-N
XLogP13.23
TPSA331.65 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms103
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001397.52
LogP ≤ 513.23
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate (CID 159889153) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate is COC(=O)C1CCC(c2nc(-c3ccc4ccn(C)c4c3F)c3c(N)nccn23)CC1.Cc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(OC(F)(F)F)c5[nH]4)c4c(N)nccn34)CC2)cn1.Nc1nccn2c(C3CCN(C(=O)c4ncc[nH]4)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
The InChIKey is NUNDNWYARLJDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N7O2.C23H24FN5O2.C23H22N8O/c1-15-5-10-19(14-34-15)35-27(39)17-8-6-16(7-9-17)26-37-23(24-25(32)33-11-12-38(24)26)20-13-18-3-2-4-21(22(18)36-20)40-28(29,30)31;1-28-11-9-13-7-8-16(17(24)19(13)28)18-20-21(25)26-10-12-29(20)22(27-18)14-3-5-15(6-4-14)23(30)31-2;24-20-19-18(17-13-15-3-1-2-4-16(15)28-17)29-22(31(19)12-9-25-20)14-5-10-30(11-6-14)23(32)21-26-7-8-27-21/h2-5,10-14,16-17,36H,6-9H2,1H3,(H2,32,33)(H,35,39);7-12,14-15H,3-6H2,1-2H3,(H2,25,26);1-4,7-9,12-14,28H,5-6,10-11H2,(H2,24,25)(H,26,27).
What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate has a molecular weight of 1397.52 g/mol, XLogP of 13.23, 11 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 159889153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).