About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxybutan-2-yl)-6-propan-2-yloxybenzamide;5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxybutan-2-yl)-6-propan-2-yloxybenzamide;5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 160899372) has the molecular formula C98H123Cl3F4N22O11
and a molecular weight of 1967.56 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxybutan-2-yl)-6-propan-2-yloxybenzamide;5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone.
Frequently Asked Questions
What is the IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxybutan-2-yl)-6-propan-2-yloxybenzamide;5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxybutan-2-yl)-6-propan-2-yloxybenzamide;5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone (CID 160899372) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxybutan-2-yl)-6-propan-2-yloxybenzamide;5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxybutan-2-yl)-6-propan-2-yloxybenzamide;5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxybutan-2-yl)-6-propan-2-yloxybenzamide;5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)c2c(F)ccc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)C1.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC4(CCOC4)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)C(C)O)c2OC(C)C)n2ccnc(N)c12.Cc1nc([C@@H](C)c2cc(Cl)c(F)c(C(=O)NCCN3CCN(C)CC3)c2OC(C)C)n2ccnc(N)c12.
What is the InChIKey of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxybutan-2-yl)-6-propan-2-yloxybenzamide;5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is SPHHWYLLSYQPPT-OKUPDQQSSA-N. The full InChI is InChI=1S/C26H35ClFN7O2.C25H29ClFN5O3.C24H30FN5O3.C23H29ClFN5O3/c1-15(2)37-23-18(16(3)25-32-17(4)22-24(29)30-7-9-35(22)25)14-19(27)21(28)20(23)26(36)31-6-8-34-12-10-33(5)11-13-34;1-13(2)35-21-16(14(3)23-30-15(4)20-22(28)29-6-7-32(20)23)9-17(26)19(27)18(21)24(33)31-10-25(11-31)5-8-34-12-25;1-13(2)33-21-17(14(3)23-28-15(4)20-22(26)27-9-11-30(20)23)6-7-18(25)19(21)24(31)29-10-8-16(12-29)32-5;1-10(2)33-20-15(9-16(24)18(25)17(20)23(32)29-12(4)14(6)31)11(3)22-28-13(5)19-21(26)27-7-8-30(19)22/h7,9,14-16H,6,8,10-13H2,1-5H3,(H2,29,30)(H,31,36);6-7,9,13-14H,5,8,10-12H2,1-4H3,(H2,28,29);6-7,9,11,13-14,16H,8,10,12H2,1-5H3,(H2,26,27);7-12,14,31H,1-6H3,(H2,26,27)(H,29,32)/t16-;;;/m0.../s1.
What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxybutan-2-yl)-6-propan-2-yloxybenzamide;5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone?
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxybutan-2-yl)-6-propan-2-yloxybenzamide;5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 1967.56 g/mol, XLogP of 14.95, 26 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxybutan-2-yl)-6-propan-2-yloxybenzamide;5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 160899372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).