5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C184H223Cl7F10N38O17 — CID 163576533

IUPAC5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC4CCC(C3)O4)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)c3cccc(C(F)(F)F)c3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3(CN(C)C)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3(CN4CCN(CC5CC5)CC4)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3(O)CCC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCCCC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCCCO3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C31H41ClFN7O2.C28H28ClF4N5O2.C26H33ClFN5O2.C25H32ClFN6O2.C25H29ClFN5O3.C25H31ClFN5O3.C24H29ClFN5O3/c1-18(2)42-27-22(19(3)29-36-20(4)26-28(34)35-9-10-40(26)29)15-23(32)25(33)24(27)30(41)37-31(7-8-31)17-39-13-11-38(12-14-39)16-21-5-6-21;1-13(2)40-24-19(14(3)26-36-16(5)23-25(34)35-9-10-38(23)26)12-20(29)22(30)21(24)27(39)37-15(4)17-7-6-8-18(11-17)28(31,32)33;1-14(2)35-23-18(15(3)25-32-16(4)22-24(29)30-10-11-33(22)25)12-19(27)21(28)20(23)26(34)31-13-17-8-6-5-7-9-17;1-13(2)35-21-16(14(3)23-30-15(4)20-22(28)29-9-10-33(20)23)11-17(26)19(27)18(21)24(34)31-25(7-8-25)12-32(5)6;1-12(2)34-22-17(13(3)24-30-14(4)21-23(28)29-7-8-32(21)24)9-18(26)20(27)19(22)25(33)31-10-15-5-6-16(11-31)35-15;1-13(2)35-22-17(14(3)24-31-15(4)21-23(28)29-8-9-32(21)24)11-18(26)20(27)19(22)25(33)30-12-16-7-5-6-10-34-16;1-12(2)34-20-15(13(3)22-30-14(4)19-21(27)28-8-9-31(19)22)10-16(25)18(26)17(20)23(32)29-11-24(33)6-5-7-24/h9-10,15,18-19,21H,5-8,11-14,16-17H2,1-4H3,(H2,34,35)(H,37,41);6-15H,1-5H3,(H2,34,35)(H,37,39);10-12,14-15,17H,5-9,13H2,1-4H3,(H2,29,30)(H,31,34);9-11,13-14H,7-8,12H2,1-6H3,(H2,28,29)(H,31,34);7-9,12-13,15-16H,5-6,10-11H2,1-4H3,(H2,28,29);8-9,11,13-14,16H,5-7,10,12H2,1-4H3,(H2,28,29)(H,30,33);8-10,12-13,33H,5-7,11H2,1-4H3,(H2,27,28)(H,29,32)
InChIKeyGDYUCUNCUILYRB-UHFFFAOYSA-N
MW3677.21 g/mol
LogP34.34
Rot. Bonds51

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 163576533) has the molecular formula C184H223Cl7F10N38O17 and a molecular weight of 3677.21 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID163576533
Molecular FormulaC184H223Cl7F10N38O17
Molecular Weight3677.21 g/mol
Exact Mass3671.54
IUPAC Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC4CCC(C3)O4)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)c3cccc(C(F)(F)F)c3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3(CN(C)C)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3(CN4CCN(CC5CC5)CC4)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3(O)CCC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCCCC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCCCO3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C31H41ClFN7O2.C28H28ClF4N5O2.C26H33ClFN5O2.C25H32ClFN6O2.C25H29ClFN5O3.C25H31ClFN5O3.C24H29ClFN5O3/c1-18(2)42-27-22(19(3)29-36-20(4)26-28(34)35-9-10-40(26)29)15-23(32)25(33)24(27)30(41)37-31(7-8-31)17-39-13-11-38(12-14-39)16-21-5-6-21;1-13(2)40-24-19(14(3)26-36-16(5)23-25(34)35-9-10-38(23)26)12-20(29)22(30)21(24)27(39)37-15(4)17-7-6-8-18(11-17)28(31,32)33;1-14(2)35-23-18(15(3)25-32-16(4)22-24(29)30-10-11-33(22)25)12-19(27)21(28)20(23)26(34)31-13-17-8-6-5-7-9-17;1-13(2)35-21-16(14(3)23-30-15(4)20-22(28)29-9-10-33(20)23)11-17(26)19(27)18(21)24(34)31-25(7-8-25)12-32(5)6;1-12(2)34-22-17(13(3)24-30-14(4)21-23(28)29-7-8-32(21)24)9-18(26)20(27)19(22)25(33)31-10-15-5-6-16(11-31)35-15;1-13(2)35-22-17(14(3)24-31-15(4)21-23(28)29-8-9-32(21)24)11-18(26)20(27)19(22)25(33)30-12-16-7-5-6-10-34-16;1-12(2)34-20-15(13(3)22-30-14(4)19-21(27)28-8-9-31(19)22)10-16(25)18(26)17(20)23(32)29-11-24(33)6-5-7-24/h9-10,15,18-19,21H,5-8,11-14,16-17H2,1-4H3,(H2,34,35)(H,37,41);6-15H,1-5H3,(H2,34,35)(H,37,39);10-12,14-15,17H,5-9,13H2,1-4H3,(H2,29,30)(H,31,34);9-11,13-14H,7-8,12H2,1-6H3,(H2,28,29)(H,31,34);7-9,12-13,15-16H,5-6,10-11H2,1-4H3,(H2,28,29);8-9,11,13-14,16H,5-7,10,12H2,1-4H3,(H2,28,29)(H,30,33);8-10,12-13,33H,5-7,11H2,1-4H3,(H2,27,28)(H,29,32)
InChIKeyGDYUCUNCUILYRB-UHFFFAOYSA-N
XLogP34.34
TPSA701.40 Ų
H-Bond Donors14
H-Bond Acceptors48
Rotatable Bonds51
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003677.21
LogP ≤ 534.34
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1048

Analyze 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide 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-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 163576533) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC4CCC(C3)O4)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)c3cccc(C(F)(F)F)c3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3(CN(C)C)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3(CN4CCN(CC5CC5)CC4)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3(O)CCC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCCCC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCCCO3)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-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is GDYUCUNCUILYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41ClFN7O2.C28H28ClF4N5O2.C26H33ClFN5O2.C25H32ClFN6O2.C25H29ClFN5O3.C25H31ClFN5O3.C24H29ClFN5O3/c1-18(2)42-27-22(19(3)29-36-20(4)26-28(34)35-9-10-40(26)29)15-23(32)25(33)24(27)30(41)37-31(7-8-31)17-39-13-11-38(12-14-39)16-21-5-6-21;1-13(2)40-24-19(14(3)26-36-16(5)23-25(34)35-9-10-38(23)26)12-20(29)22(30)21(24)27(39)37-15(4)17-7-6-8-18(11-17)28(31,32)33;1-14(2)35-23-18(15(3)25-32-16(4)22-24(29)30-10-11-33(22)25)12-19(27)21(28)20(23)26(34)31-13-17-8-6-5-7-9-17;1-13(2)35-21-16(14(3)23-30-15(4)20-22(28)29-9-10-33(20)23)11-17(26)19(27)18(21)24(34)31-25(7-8-25)12-32(5)6;1-12(2)34-22-17(13(3)24-30-14(4)21-23(28)29-7-8-32(21)24)9-18(26)20(27)19(22)25(33)31-10-15-5-6-16(11-31)35-15;1-13(2)35-22-17(14(3)24-31-15(4)21-23(28)29-8-9-32(21)24)11-18(26)20(27)19(22)25(33)30-12-16-7-5-6-10-34-16;1-12(2)34-20-15(13(3)22-30-14(4)19-21(27)28-8-9-31(19)22)10-16(25)18(26)17(20)23(32)29-11-24(33)6-5-7-24/h9-10,15,18-19,21H,5-8,11-14,16-17H2,1-4H3,(H2,34,35)(H,37,41);6-15H,1-5H3,(H2,34,35)(H,37,39);10-12,14-15,17H,5-9,13H2,1-4H3,(H2,29,30)(H,31,34);9-11,13-14H,7-8,12H2,1-6H3,(H2,28,29)(H,31,34);7-9,12-13,15-16H,5-6,10-11H2,1-4H3,(H2,28,29);8-9,11,13-14,16H,5-7,10,12H2,1-4H3,(H2,28,29)(H,30,33);8-10,12-13,33H,5-7,11H2,1-4H3,(H2,27,28)(H,29,32).
What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 3677.21 g/mol, XLogP of 34.34, 51 rotatable bonds, 14 hydrogen bond donors, and 48 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-N-(cyclohexylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-2-ylmethyl)-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]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 163576533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).