6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile

C130H151F5N24O9 — CID 158221414

IUPAC6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile
SMILESCCC1CN(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC(C)(C)c3ncc([C@@H](C)c4ccc(F)cc4)cc32)C(=O)CO1.Cc1cc(F)ccc1Cc1cc2c(nn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc2cc(C#N)ccc2C1=O.Cc1cc(F)ccc1Cc1cc2c(nn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc2cccc(F)c2C1=O.Cc1cc(F)ccc1Cc1cnc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc3ccc(C#N)cc3C1=O)CC2(C)C
InChIInChI=1S/C34H37FN6O2.C33H36FN7O2.C32H36F2N6O2.C31H42FN5O3/c1-21-9-27(35)8-7-25(21)10-24-12-30-32(38-14-24)34(3,4)20-41(30)31(42)19-39-16-22(2)37-15-28(39)18-40-17-26-6-5-23(13-36)11-29(26)33(40)43;1-20-9-25(34)7-6-23(20)11-26-12-29-31(38-37-26)33(3,4)19-41(29)30(42)18-39-15-21(2)36-14-27(39)17-40-16-24-10-22(13-35)5-8-28(24)32(40)43;1-19-10-23(33)9-8-21(19)11-24-12-27-30(37-36-24)32(3,4)18-40(27)28(41)17-38-14-20(2)35-13-25(38)16-39-15-22-6-5-7-26(34)29(22)31(39)42;1-6-26-16-36(29(39)18-40-26)15-25-13-33-20(2)14-35(25)17-28(38)37-19-31(4,5)30-27(37)11-23(12-34-30)21(3)22-7-9-24(32)10-8-22/h5-9,11-12,14,22,28,37H,10,15-20H2,1-4H3;5-10,12,21,27,36H,11,14-19H2,1-4H3;5-10,12,20,25,35H,11,13-18H2,1-4H3;7-12,20-21,25-26,33H,6,13-19H2,1-5H3/t22-,28-;21-,27-;20-,25-;20-,21+,25-,26?/m1111/s1
InChIKeyGDHCPFNCRQXJNA-PSNBFBRISA-N
MW2288.79 g/mol
LogP14.16
Rot. Bonds25

About 6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile

6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile (PubChem CID 158221414) has the molecular formula C130H151F5N24O9 and a molecular weight of 2288.79 g/mol. Its IUPAC name is 6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile.

Molecular Properties

Compound Name6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile
PubChem CID158221414
Molecular FormulaC130H151F5N24O9
Molecular Weight2288.79 g/mol
Exact Mass2287.20
IUPAC Name6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile
SMILESCCC1CN(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC(C)(C)c3ncc([C@@H](C)c4ccc(F)cc4)cc32)C(=O)CO1.Cc1cc(F)ccc1Cc1cc2c(nn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc2cc(C#N)ccc2C1=O.Cc1cc(F)ccc1Cc1cc2c(nn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc2cccc(F)c2C1=O.Cc1cc(F)ccc1Cc1cnc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc3ccc(C#N)cc3C1=O)CC2(C)C
InChIInChI=1S/C34H37FN6O2.C33H36FN7O2.C32H36F2N6O2.C31H42FN5O3/c1-21-9-27(35)8-7-25(21)10-24-12-30-32(38-14-24)34(3,4)20-41(30)31(42)19-39-16-22(2)37-15-28(39)18-40-17-26-6-5-23(13-36)11-29(26)33(40)43;1-20-9-25(34)7-6-23(20)11-26-12-29-31(38-37-26)33(3,4)19-41(29)30(42)18-39-15-21(2)36-14-27(39)17-40-16-24-10-22(13-35)5-8-28(24)32(40)43;1-19-10-23(33)9-8-21(19)11-24-12-27-30(37-36-24)32(3,4)18-40(27)28(41)17-38-14-20(2)35-13-25(38)16-39-15-22-6-5-7-26(34)29(22)31(39)42;1-6-26-16-36(29(39)18-40-26)15-25-13-33-20(2)14-35(25)17-28(38)37-19-31(4,5)30-27(37)11-23(12-34-30)21(3)22-7-9-24(32)10-8-22/h5-9,11-12,14,22,28,37H,10,15-20H2,1-4H3;5-10,12,21,27,36H,11,14-19H2,1-4H3;5-10,12,20,25,35H,11,13-18H2,1-4H3;7-12,20-21,25-26,33H,6,13-19H2,1-5H3/t22-,28-;21-,27-;20-,25-;20-,21+,25-,26?/m1111/s1
InChIKeyGDHCPFNCRQXJNA-PSNBFBRISA-N
XLogP14.16
TPSA357.71 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002288.79
LogP ≤ 514.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile?
The IUPAC name of 6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile (CID 158221414) is 6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile.
What is the SMILES notation for 6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile?
The canonical SMILES for 6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile is CCC1CN(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC(C)(C)c3ncc([C@@H](C)c4ccc(F)cc4)cc32)C(=O)CO1.Cc1cc(F)ccc1Cc1cc2c(nn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc2cc(C#N)ccc2C1=O.Cc1cc(F)ccc1Cc1cc2c(nn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc2cccc(F)c2C1=O.Cc1cc(F)ccc1Cc1cnc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc3ccc(C#N)cc3C1=O)CC2(C)C.
What is the InChIKey of 6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile?
The InChIKey is GDHCPFNCRQXJNA-PSNBFBRISA-N. The full InChI is InChI=1S/C34H37FN6O2.C33H36FN7O2.C32H36F2N6O2.C31H42FN5O3/c1-21-9-27(35)8-7-25(21)10-24-12-30-32(38-14-24)34(3,4)20-41(30)31(42)19-39-16-22(2)37-15-28(39)18-40-17-26-6-5-23(13-36)11-29(26)33(40)43;1-20-9-25(34)7-6-23(20)11-26-12-29-31(38-37-26)33(3,4)19-41(29)30(42)18-39-15-21(2)36-14-27(39)17-40-16-24-10-22(13-35)5-8-28(24)32(40)43;1-19-10-23(33)9-8-21(19)11-24-12-27-30(37-36-24)32(3,4)18-40(27)28(41)17-38-14-20(2)35-13-25(38)16-39-15-22-6-5-7-26(34)29(22)31(39)42;1-6-26-16-36(29(39)18-40-26)15-25-13-33-20(2)14-35(25)17-28(38)37-19-31(4,5)30-27(37)11-23(12-34-30)21(3)22-7-9-24(32)10-8-22/h5-9,11-12,14,22,28,37H,10,15-20H2,1-4H3;5-10,12,21,27,36H,11,14-19H2,1-4H3;5-10,12,20,25,35H,11,13-18H2,1-4H3;7-12,20-21,25-26,33H,6,13-19H2,1-5H3/t22-,28-;21-,27-;20-,25-;20-,21+,25-,26?/m1111/s1.
What are the key properties of 6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile?
6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile has a molecular weight of 2288.79 g/mol, XLogP of 14.16, 25 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[[(2R,5R)-1-[2-[6-[(1S)-1-(4-fluorophenyl)ethyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;7-fluoro-2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile is sourced from PubChem (CID 158221414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).