N-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone

C117H105F16N25O14S2 — CID 163801898

IUPACN-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESC=CC(=O)N1[C@@H]2COC[C@@H]2C[C@H]1c1nc(-c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2F)c2c(N)nccn12.CC(C)NS(=O)(=O)N1[C@@H]2COC[C@@H]2C[C@H]1c1nc(-c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2F)c2c(N)nccn12.Nc1nccn2c([C@@H]3C[C@H]4COC[C@H]4N3C(=O)C3CC3)nc(-c3ccc(C(=O)Cc4cc(C(F)(F)F)ccn4)cc3F)c12.O=C(Cc1cc(C(F)(F)F)ccn1)c1ccc(-c2nc([C@@H]3C[C@H]4COC[C@H]4N3)n3ccnc(NS(=O)(=O)C4CC4)c23)c(F)c1
InChIInChI=1S/C30H26F4N6O3.C29H29F4N7O4S.C29H26F4N6O4S.C29H24F4N6O3/c31-21-9-16(24(41)12-19-11-18(5-6-36-19)30(32,33)34)3-4-20(21)25-26-27(35)37-7-8-39(26)28(38-25)22-10-17-13-43-14-23(17)40(22)29(42)15-1-2-15;1-15(2)38-45(42,43)40-22(10-17-13-44-14-23(17)40)28-37-25(26-27(34)36-7-8-39(26)28)20-4-3-16(9-21(20)30)24(41)12-19-11-18(5-6-35-19)29(31,32)33;30-21-9-15(24(40)12-18-11-17(5-6-34-18)29(31,32)33)1-4-20(21)25-26-27(38-44(41,42)19-2-3-19)35-7-8-39(26)28(37-25)22-10-16-13-43-14-23(16)36-22;1-2-24(41)39-21(10-16-13-42-14-22(16)39)28-37-25(26-27(34)36-7-8-38(26)28)19-4-3-15(9-20(19)30)23(40)12-18-11-17(5-6-35-18)29(31,32)33/h3-9,11,15,17,22-23H,1-2,10,12-14H2,(H2,35,37);3-9,11,15,17,22-23,38H,10,12-14H2,1-2H3,(H2,34,36);1,4-9,11,16,19,22-23,36H,2-3,10,12-14H2,(H,35,38);2-9,11,16,21-22H,1,10,12-14H2,(H2,34,36)/t2*17-,22-,23+;16-,22-,23+;16-,21-,22+/m0000/s1
InChIKeyNFSFYNKUURCLFH-HCPCGXOESA-N
MW2453.39 g/mol
LogP17.38
Rot. Bonds28

About N-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone

N-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 163801898) has the molecular formula C117H105F16N25O14S2 and a molecular weight of 2453.39 g/mol. Its IUPAC name is N-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound NameN-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID163801898
Molecular FormulaC117H105F16N25O14S2
Molecular Weight2453.39 g/mol
Exact Mass2451.75
IUPAC NameN-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESC=CC(=O)N1[C@@H]2COC[C@@H]2C[C@H]1c1nc(-c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2F)c2c(N)nccn12.CC(C)NS(=O)(=O)N1[C@@H]2COC[C@@H]2C[C@H]1c1nc(-c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2F)c2c(N)nccn12.Nc1nccn2c([C@@H]3C[C@H]4COC[C@H]4N3C(=O)C3CC3)nc(-c3ccc(C(=O)Cc4cc(C(F)(F)F)ccn4)cc3F)c12.O=C(Cc1cc(C(F)(F)F)ccn1)c1ccc(-c2nc([C@@H]3C[C@H]4COC[C@H]4N3)n3ccnc(NS(=O)(=O)C4CC4)c23)c(F)c1
InChIInChI=1S/C30H26F4N6O3.C29H29F4N7O4S.C29H26F4N6O4S.C29H24F4N6O3/c31-21-9-16(24(41)12-19-11-18(5-6-36-19)30(32,33)34)3-4-20(21)25-26-27(35)37-7-8-39(26)28(38-25)22-10-17-13-43-14-23(17)40(22)29(42)15-1-2-15;1-15(2)38-45(42,43)40-22(10-17-13-44-14-23(17)40)28-37-25(26-27(34)36-7-8-39(26)28)20-4-3-16(9-21(20)30)24(41)12-19-11-18(5-6-35-19)29(31,32)33;30-21-9-15(24(40)12-18-11-17(5-6-34-18)29(31,32)33)1-4-20(21)25-26-27(38-44(41,42)19-2-3-19)35-7-8-39(26)28(37-25)22-10-16-13-43-14-23(16)36-22;1-2-24(41)39-21(10-16-13-42-14-22(16)39)28-37-25(26-27(34)36-7-8-38(26)28)19-4-3-15(9-20(19)30)23(40)12-18-11-17(5-6-35-18)29(31,32)33/h3-9,11,15,17,22-23H,1-2,10,12-14H2,(H2,35,37);3-9,11,15,17,22-23,38H,10,12-14H2,1-2H3,(H2,34,36);1,4-9,11,16,19,22-23,36H,2-3,10,12-14H2,(H,35,38);2-9,11,16,21-22H,1,10,12-14H2,(H2,34,36)/t2*17-,22-,23+;16-,22-,23+;16-,21-,22+/m0000/s1
InChIKeyNFSFYNKUURCLFH-HCPCGXOESA-N
XLogP17.38
TPSA503.81 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds28
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002453.39
LogP ≤ 517.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of N-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone (CID 163801898) is N-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for N-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for N-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone is C=CC(=O)N1[C@@H]2COC[C@@H]2C[C@H]1c1nc(-c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2F)c2c(N)nccn12.CC(C)NS(=O)(=O)N1[C@@H]2COC[C@@H]2C[C@H]1c1nc(-c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2F)c2c(N)nccn12.Nc1nccn2c([C@@H]3C[C@H]4COC[C@H]4N3C(=O)C3CC3)nc(-c3ccc(C(=O)Cc4cc(C(F)(F)F)ccn4)cc3F)c12.O=C(Cc1cc(C(F)(F)F)ccn1)c1ccc(-c2nc([C@@H]3C[C@H]4COC[C@H]4N3)n3ccnc(NS(=O)(=O)C4CC4)c23)c(F)c1.
What is the InChIKey of N-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is NFSFYNKUURCLFH-HCPCGXOESA-N. The full InChI is InChI=1S/C30H26F4N6O3.C29H29F4N7O4S.C29H26F4N6O4S.C29H24F4N6O3/c31-21-9-16(24(41)12-19-11-18(5-6-36-19)30(32,33)34)3-4-20(21)25-26-27(35)37-7-8-39(26)28(38-25)22-10-17-13-43-14-23(17)40(22)29(42)15-1-2-15;1-15(2)38-45(42,43)40-22(10-17-13-44-14-23(17)40)28-37-25(26-27(34)36-7-8-39(26)28)20-4-3-16(9-21(20)30)24(41)12-19-11-18(5-6-35-19)29(31,32)33;30-21-9-15(24(40)12-18-11-17(5-6-34-18)29(31,32)33)1-4-20(21)25-26-27(38-44(41,42)19-2-3-19)35-7-8-39(26)28(37-25)22-10-16-13-43-14-23(16)36-22;1-2-24(41)39-21(10-16-13-42-14-22(16)39)28-37-25(26-27(34)36-7-8-38(26)28)19-4-3-15(9-20(19)30)23(40)12-18-11-17(5-6-35-18)29(31,32)33/h3-9,11,15,17,22-23H,1-2,10,12-14H2,(H2,35,37);3-9,11,15,17,22-23,38H,10,12-14H2,1-2H3,(H2,34,36);1,4-9,11,16,19,22-23,36H,2-3,10,12-14H2,(H,35,38);2-9,11,16,21-22H,1,10,12-14H2,(H2,34,36)/t2*17-,22-,23+;16-,22-,23+;16-,21-,22+/m0000/s1.
What are the key properties of N-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
N-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 2453.39 g/mol, XLogP of 17.38, 28 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-2-yl]-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-8-yl]cyclopropanesulfonamide;1-[(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]prop-2-en-1-one;(2S,3aR,6aS)-2-[8-amino-1-[2-fluoro-4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-sulfonamide;1-[4-[3-[(2S,3aR,6aS)-1-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 163801898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).