5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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

C175H216Cl6F7N35O17 — CID 163536071

IUPAC5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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
SMILESCOC1CCCN(C(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)C1.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(CCCC4)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CCC4(CCC4)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)C(C)C)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CC(C)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCC(O)CC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C27H33ClFN5O2.C26H31ClFN5O2.2C25H31ClFN5O3.C24H29ClFN5O2.C24H31ClFN5O2.C24H30FN5O3/c1-15(2)36-23-18(16(3)25-32-17(4)22-24(30)31-10-13-34(22)25)14-19(28)21(29)20(23)26(35)33-11-8-27(9-12-33)6-5-7-27;1-14(2)35-22-17(15(3)24-31-16(4)21-23(29)30-9-10-33(21)24)11-18(27)20(28)19(22)25(34)32-12-26(13-32)7-5-6-8-26;1-13(2)35-22-17(14(3)24-30-15(4)21-23(28)29-8-10-32(21)24)11-18(26)20(27)19(22)25(33)31-9-6-7-16(12-31)34-5;1-12(2)35-22-17(13(3)24-30-14(4)21-23(28)29-9-10-32(21)24)11-18(26)20(27)19(22)25(34)31-15-5-7-16(33)8-6-15;1-11(2)33-21-16(13(4)23-29-14(5)20-22(27)28-6-7-31(20)23)10-17(25)19(26)18(21)24(32)30-15-8-12(3)9-15;1-11(2)14(6)30-24(32)18-19(26)17(25)10-16(21(18)33-12(3)4)13(5)23-29-15(7)20-22(27)28-8-9-31(20)23;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/h10,13-16H,5-9,11-12H2,1-4H3,(H2,30,31);9-11,14-15H,5-8,12-13H2,1-4H3,(H2,29,30);8,10-11,13-14,16H,6-7,9,12H2,1-5H3,(H2,28,29);9-13,15-16,33H,5-8H2,1-4H3,(H2,28,29)(H,31,34);6-7,10-13,15H,8-9H2,1-5H3,(H2,27,28)(H,30,32);8-14H,1-7H3,(H2,27,28)(H,30,32);6-7,9,11,13-14,16H,8,10,12H2,1-5H3,(H2,26,27)
InChIKeyDXBSXXYQRFMQMV-UHFFFAOYSA-N
MW3427.58 g/mol
LogP33.68
Rot. Bonds41

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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 163536071) has the molecular formula C175H216Cl6F7N35O17 and a molecular weight of 3427.58 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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.

Molecular Properties

Compound Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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 CID163536071
Molecular FormulaC175H216Cl6F7N35O17
Molecular Weight3427.58 g/mol
Exact Mass3422.51
IUPAC Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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
SMILESCOC1CCCN(C(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)C1.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(CCCC4)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CCC4(CCC4)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)C(C)C)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CC(C)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCC(O)CC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C27H33ClFN5O2.C26H31ClFN5O2.2C25H31ClFN5O3.C24H29ClFN5O2.C24H31ClFN5O2.C24H30FN5O3/c1-15(2)36-23-18(16(3)25-32-17(4)22-24(30)31-10-13-34(22)25)14-19(28)21(29)20(23)26(35)33-11-8-27(9-12-33)6-5-7-27;1-14(2)35-22-17(15(3)24-31-16(4)21-23(29)30-9-10-33(21)24)11-18(27)20(28)19(22)25(34)32-12-26(13-32)7-5-6-8-26;1-13(2)35-22-17(14(3)24-30-15(4)21-23(28)29-8-10-32(21)24)11-18(26)20(27)19(22)25(33)31-9-6-7-16(12-31)34-5;1-12(2)35-22-17(13(3)24-30-14(4)21-23(28)29-9-10-32(21)24)11-18(26)20(27)19(22)25(34)31-15-5-7-16(33)8-6-15;1-11(2)33-21-16(13(4)23-29-14(5)20-22(27)28-6-7-31(20)23)10-17(25)19(26)18(21)24(32)30-15-8-12(3)9-15;1-11(2)14(6)30-24(32)18-19(26)17(25)10-16(21(18)33-12(3)4)13(5)23-29-15(7)20-22(27)28-8-9-31(20)23;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/h10,13-16H,5-9,11-12H2,1-4H3,(H2,30,31);9-11,14-15H,5-8,12-13H2,1-4H3,(H2,29,30);8,10-11,13-14,16H,6-7,9,12H2,1-5H3,(H2,28,29);9-13,15-16,33H,5-8H2,1-4H3,(H2,28,29)(H,31,34);6-7,10-13,15H,8-9H2,1-5H3,(H2,27,28)(H,30,32);8-14H,1-7H3,(H2,27,28)(H,30,32);6-7,9,11,13-14,16H,8,10,12H2,1-5H3,(H2,26,27)
InChIKeyDXBSXXYQRFMQMV-UHFFFAOYSA-N
XLogP33.68
TPSA665.31 Ų
H-Bond Donors11
H-Bond Acceptors45
Rotatable Bonds41
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003427.58
LogP ≤ 533.68
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1045

Analyze 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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 with MolForge

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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-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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 163536071) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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 COC1CCCN(C(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)C1.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(CCCC4)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CCC4(CCC4)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)C(C)C)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CC(C)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCC(O)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-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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 DXBSXXYQRFMQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClFN5O2.C26H31ClFN5O2.2C25H31ClFN5O3.C24H29ClFN5O2.C24H31ClFN5O2.C24H30FN5O3/c1-15(2)36-23-18(16(3)25-32-17(4)22-24(30)31-10-13-34(22)25)14-19(28)21(29)20(23)26(35)33-11-8-27(9-12-33)6-5-7-27;1-14(2)35-22-17(15(3)24-31-16(4)21-23(29)30-9-10-33(21)24)11-18(27)20(28)19(22)25(34)32-12-26(13-32)7-5-6-8-26;1-13(2)35-22-17(14(3)24-30-15(4)21-23(28)29-8-10-32(21)24)11-18(26)20(27)19(22)25(33)31-9-6-7-16(12-31)34-5;1-12(2)35-22-17(13(3)24-30-14(4)21-23(28)29-9-10-32(21)24)11-18(26)20(27)19(22)25(34)31-15-5-7-16(33)8-6-15;1-11(2)33-21-16(13(4)23-29-14(5)20-22(27)28-6-7-31(20)23)10-17(25)19(26)18(21)24(32)30-15-8-12(3)9-15;1-11(2)14(6)30-24(32)18-19(26)17(25)10-16(21(18)33-12(3)4)13(5)23-29-15(7)20-22(27)28-8-9-31(20)23;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/h10,13-16H,5-9,11-12H2,1-4H3,(H2,30,31);9-11,14-15H,5-8,12-13H2,1-4H3,(H2,29,30);8,10-11,13-14,16H,6-7,9,12H2,1-5H3,(H2,28,29);9-13,15-16,33H,5-8H2,1-4H3,(H2,28,29)(H,31,34);6-7,10-13,15H,8-9H2,1-5H3,(H2,27,28)(H,30,32);8-14H,1-7H3,(H2,27,28)(H,30,32);6-7,9,11,13-14,16H,8,10,12H2,1-5H3,(H2,26,27).
What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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 3427.58 g/mol, XLogP of 33.68, 41 rotatable bonds, 11 hydrogen bond donors, and 45 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-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylbutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylcyclobutyl)-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]-(7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-azaspiro[3.4]octan-2-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-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 163536071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).