1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

C187H221F12N35O14 — CID 159897275

IUPAC1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5[nH]nc(C(F)(F)F)c5C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5c(C(F)(F)F)n[nH]c5C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5c(ccn5C)C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5oc(C6CC6)nc5C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCn5cc(C(=O)C6CC6)nc5C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCn5nc(C6CC6)nc5C4)c(F)c3)CC2)nc1
InChIInChI=1S/C33H39FN6O3.C32H38FN5O3.C31H38FN7O2.C31H38FN5O2.2C30H34F4N6O2/c1-21-17-35-33(36-18-21)38-9-6-22(7-10-38)27-14-24(27)8-13-43-26-5-4-25(28(34)16-26)15-31(41)40-12-11-39-19-29(37-30(39)20-40)32(42)23-2-3-23;1-20-17-34-32(35-18-20)37-10-6-21(7-11-37)26-14-23(26)9-13-40-25-5-4-24(27(33)16-25)15-30(39)38-12-8-29-28(19-38)36-31(41-29)22-2-3-22;1-20-17-33-31(34-18-20)37-9-6-21(7-10-37)26-14-23(26)8-13-41-25-5-4-24(27(32)16-25)15-29(40)38-11-12-39-28(19-38)35-30(36-39)22-2-3-22;1-21-18-33-31(34-19-21)36-11-6-22(7-12-36)27-15-23(27)9-14-39-26-4-3-24(28(32)17-26)16-30(38)37-13-8-29-25(20-37)5-10-35(29)2;1-18-15-35-29(36-16-18)39-8-4-19(5-9-39)23-12-20(23)7-11-42-22-3-2-21(25(31)14-22)13-27(41)40-10-6-26-24(17-40)28(38-37-26)30(32,33)34;1-18-15-35-29(36-16-18)39-8-4-19(5-9-39)24-12-20(24)7-11-42-22-3-2-21(25(31)14-22)13-27(41)40-10-6-23-26(17-40)37-38-28(23)30(32,33)34/h4-5,16-19,22-24,27H,2-3,6-15,20H2,1H3;2*4-5,16-18,21-23,26H,2-3,6-15,19H2,1H3;3-5,10,17-19,22-23,27H,6-9,11-16,20H2,1-2H3;2-3,14-16,19-20,23H,4-13,17H2,1H3,(H,37,38);2-3,14-16,19-20,24H,4-13,17H2,1H3,(H,37,38)/t24-,27-;2*23-,26-;23-,27-;20-,23-;20-,24-/m111111/s1
InChIKeyNVMRNSIFDMNLCU-MODSSNDBSA-N
MW3411.03 g/mol
LogP29.10
Rot. Bonds52

About 1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 159897275) has the molecular formula C187H221F12N35O14 and a molecular weight of 3411.03 g/mol. Its IUPAC name is 1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID159897275
Molecular FormulaC187H221F12N35O14
Molecular Weight3411.03 g/mol
Exact Mass3408.75
IUPAC Name1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5[nH]nc(C(F)(F)F)c5C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5c(C(F)(F)F)n[nH]c5C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5c(ccn5C)C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5oc(C6CC6)nc5C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCn5cc(C(=O)C6CC6)nc5C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCn5nc(C6CC6)nc5C4)c(F)c3)CC2)nc1
InChIInChI=1S/C33H39FN6O3.C32H38FN5O3.C31H38FN7O2.C31H38FN5O2.2C30H34F4N6O2/c1-21-17-35-33(36-18-21)38-9-6-22(7-10-38)27-14-24(27)8-13-43-26-5-4-25(28(34)16-26)15-31(41)40-12-11-39-19-29(37-30(39)20-40)32(42)23-2-3-23;1-20-17-34-32(35-18-20)37-10-6-21(7-11-37)26-14-23(26)9-13-40-25-5-4-24(27(33)16-25)15-30(39)38-12-8-29-28(19-38)36-31(41-29)22-2-3-22;1-20-17-33-31(34-18-20)37-9-6-21(7-10-37)26-14-23(26)8-13-41-25-5-4-24(27(32)16-25)15-29(40)38-11-12-39-28(19-38)35-30(36-39)22-2-3-22;1-21-18-33-31(34-19-21)36-11-6-22(7-12-36)27-15-23(27)9-14-39-26-4-3-24(28(32)17-26)16-30(38)37-13-8-29-25(20-37)5-10-35(29)2;1-18-15-35-29(36-16-18)39-8-4-19(5-9-39)23-12-20(23)7-11-42-22-3-2-21(25(31)14-22)13-27(41)40-10-6-26-24(17-40)28(38-37-26)30(32,33)34;1-18-15-35-29(36-16-18)39-8-4-19(5-9-39)24-12-20(24)7-11-42-22-3-2-21(25(31)14-22)13-27(41)40-10-6-23-26(17-40)37-38-28(23)30(32,33)34/h4-5,16-19,22-24,27H,2-3,6-15,20H2,1H3;2*4-5,16-18,21-23,26H,2-3,6-15,19H2,1H3;3-5,10,17-19,22-23,27H,6-9,11-16,20H2,1-2H3;2-3,14-16,19-20,23H,4-13,17H2,1H3,(H,37,38);2-3,14-16,19-20,24H,4-13,17H2,1H3,(H,37,38)/t24-,27-;2*23-,26-;23-,27-;20-,23-;20-,24-/m111111/s1
InChIKeyNVMRNSIFDMNLCU-MODSSNDBSA-N
XLogP29.10
TPSA505.28 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds52
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003411.03
LogP ≤ 529.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Analyze 1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 159897275) is 1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5[nH]nc(C(F)(F)F)c5C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5c(C(F)(F)F)n[nH]c5C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5c(ccn5C)C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCc5oc(C6CC6)nc5C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCn5cc(C(=O)C6CC6)nc5C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCn5nc(C6CC6)nc5C4)c(F)c3)CC2)nc1.
What is the InChIKey of 1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is NVMRNSIFDMNLCU-MODSSNDBSA-N. The full InChI is InChI=1S/C33H39FN6O3.C32H38FN5O3.C31H38FN7O2.C31H38FN5O2.2C30H34F4N6O2/c1-21-17-35-33(36-18-21)38-9-6-22(7-10-38)27-14-24(27)8-13-43-26-5-4-25(28(34)16-26)15-31(41)40-12-11-39-19-29(37-30(39)20-40)32(42)23-2-3-23;1-20-17-34-32(35-18-20)37-10-6-21(7-11-37)26-14-23(26)9-13-40-25-5-4-24(27(33)16-25)15-30(39)38-12-8-29-28(19-38)36-31(41-29)22-2-3-22;1-20-17-33-31(34-18-20)37-9-6-21(7-10-37)26-14-23(26)8-13-41-25-5-4-24(27(32)16-25)15-29(40)38-11-12-39-28(19-38)35-30(36-39)22-2-3-22;1-21-18-33-31(34-19-21)36-11-6-22(7-12-36)27-15-23(27)9-14-39-26-4-3-24(28(32)17-26)16-30(38)37-13-8-29-25(20-37)5-10-35(29)2;1-18-15-35-29(36-16-18)39-8-4-19(5-9-39)23-12-20(23)7-11-42-22-3-2-21(25(31)14-22)13-27(41)40-10-6-26-24(17-40)28(38-37-26)30(32,33)34;1-18-15-35-29(36-16-18)39-8-4-19(5-9-39)24-12-20(24)7-11-42-22-3-2-21(25(31)14-22)13-27(41)40-10-6-23-26(17-40)37-38-28(23)30(32,33)34/h4-5,16-19,22-24,27H,2-3,6-15,20H2,1H3;2*4-5,16-18,21-23,26H,2-3,6-15,19H2,1H3;3-5,10,17-19,22-23,27H,6-9,11-16,20H2,1-2H3;2-3,14-16,19-20,23H,4-13,17H2,1H3,(H,37,38);2-3,14-16,19-20,24H,4-13,17H2,1H3,(H,37,38)/t24-,27-;2*23-,26-;23-,27-;20-,23-;20-,24-/m111111/s1.
What are the key properties of 1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 3411.03 g/mol, XLogP of 29.10, 52 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 159897275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).