2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one

C105H132N18O11S — CID 158470577

IUPAC2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
SMILESCc1c(C)c(C)c(C[C@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)CN(C2CCN(C)CC2)C4=O)c(C)c1C.Cc1c(C)c(C)c(C[C@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)CN(C2CCN(CCS(C)(=O)=O)CC2)C4=O)c(C)c1C.Cc1c(C)c(C)c(C[C@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)CN(CCCN2CCCC2)C4=O)c(C)c1C
InChIInChI=1S/C36H46N6O5S.C35H44N6O3.C34H42N6O3/c1-20-21(2)23(4)28(24(5)22(20)3)16-26(19-43)38-30-7-10-37-35(44)33(30)34-39-31-15-25-18-42(36(45)29(25)17-32(31)40-34)27-8-11-41(12-9-27)13-14-48(6,46)47;1-20-21(2)23(4)27(24(5)22(20)3)16-26(19-42)37-29-9-10-36-34(43)32(29)33-38-30-15-25-18-41(14-8-13-40-11-6-7-12-40)35(44)28(25)17-31(30)39-33;1-18-19(2)21(4)26(22(5)20(18)3)14-24(17-41)36-28-7-10-35-33(42)31(28)32-37-29-13-23-16-40(25-8-11-39(6)12-9-25)34(43)27(23)15-30(29)38-32/h7,10,15,17,26-27,43H,8-9,11-14,16,18-19H2,1-6H3,(H,39,40)(H2,37,38,44);9-10,15,17,26,42H,6-8,11-14,16,18-19H2,1-5H3,(H,38,39)(H2,36,37,43);7,10,13,15,24-25,41H,8-9,11-12,14,16-17H2,1-6H3,(H,37,38)(H2,35,36,42)/t2*26-;24-/m111/s1
InChIKeyHGHKMNHGHJSUFC-PACFMQPOSA-N
MW1854.39 g/mol
LogP13.38
Rot. Bonds27

About 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one

2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one (PubChem CID 158470577) has the molecular formula C105H132N18O11S and a molecular weight of 1854.39 g/mol. Its IUPAC name is 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one.

Molecular Properties

Compound Name2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
PubChem CID158470577
Molecular FormulaC105H132N18O11S
Molecular Weight1854.39 g/mol
Exact Mass1853.00
IUPAC Name2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
SMILESCc1c(C)c(C)c(C[C@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)CN(C2CCN(C)CC2)C4=O)c(C)c1C.Cc1c(C)c(C)c(C[C@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)CN(C2CCN(CCS(C)(=O)=O)CC2)C4=O)c(C)c1C.Cc1c(C)c(C)c(C[C@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)CN(CCCN2CCCC2)C4=O)c(C)c1C
InChIInChI=1S/C36H46N6O5S.C35H44N6O3.C34H42N6O3/c1-20-21(2)23(4)28(24(5)22(20)3)16-26(19-43)38-30-7-10-37-35(44)33(30)34-39-31-15-25-18-42(36(45)29(25)17-32(31)40-34)27-8-11-41(12-9-27)13-14-48(6,46)47;1-20-21(2)23(4)27(24(5)22(20)3)16-26(19-42)37-29-9-10-36-34(43)32(29)33-38-30-15-25-18-41(14-8-13-40-11-6-7-12-40)35(44)28(25)17-31(30)39-33;1-18-19(2)21(4)26(22(5)20(18)3)14-24(17-41)36-28-7-10-35-33(42)31(28)32-37-29-13-23-16-40(25-8-11-39(6)12-9-25)34(43)27(23)15-30(29)38-32/h7,10,15,17,26-27,43H,8-9,11-14,16,18-19H2,1-6H3,(H,39,40)(H2,37,38,44);9-10,15,17,26,42H,6-8,11-14,16,18-19H2,1-5H3,(H,38,39)(H2,36,37,43);7,10,13,15,24-25,41H,8-9,11-12,14,16-17H2,1-6H3,(H,37,38)(H2,35,36,42)/t2*26-;24-/m111/s1
InChIKeyHGHKMNHGHJSUFC-PACFMQPOSA-N
XLogP13.38
TPSA386.19 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001854.39
LogP ≤ 513.38
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Analyze 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one with MolForge

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Related Compounds

6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[2-oxo-4-[[(2S)-1-(2,3,5-trifluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-[5-(dimethylamino)-2-methylphenyl]propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-(2,3,5-trifluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
CID 162171075
CID 58570136
CID 58570136
2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
CID 136200166
2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
CID 136200227
2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
CID 136200339
2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
CID 136200344
2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
CID 136200355
2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
CID 136200376
2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
CID 136200436
2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
CID 136200515
N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[(3S)-3-[[4-[6-[2-[4-[[2-(dimethylamino)ethylamino]-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]pyrrolidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 138649314
2-[4-[[4-[2,4-dimethyl-6-(methylsulfanylmethyl)phenyl]-2-hydroxybutyl]amino]-2-oxo-3,4-dihydro-1H-pyridin-3-yl]-6-[1-[methyl-(1-methylpiperidin-4-yl)amino]ethenyl]-3H-benzimidazole-5-carbaldehyde
CID 143628108

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?
The IUPAC name of 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one (CID 158470577) is 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one.
What is the SMILES notation for 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?
The canonical SMILES for 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one is Cc1c(C)c(C)c(C[C@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)CN(C2CCN(C)CC2)C4=O)c(C)c1C.Cc1c(C)c(C)c(C[C@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)CN(C2CCN(CCS(C)(=O)=O)CC2)C4=O)c(C)c1C.Cc1c(C)c(C)c(C[C@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)CN(CCCN2CCCC2)C4=O)c(C)c1C.
What is the InChIKey of 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?
The InChIKey is HGHKMNHGHJSUFC-PACFMQPOSA-N. The full InChI is InChI=1S/C36H46N6O5S.C35H44N6O3.C34H42N6O3/c1-20-21(2)23(4)28(24(5)22(20)3)16-26(19-43)38-30-7-10-37-35(44)33(30)34-39-31-15-25-18-42(36(45)29(25)17-32(31)40-34)27-8-11-41(12-9-27)13-14-48(6,46)47;1-20-21(2)23(4)27(24(5)22(20)3)16-26(19-42)37-29-9-10-36-34(43)32(29)33-38-30-15-25-18-41(14-8-13-40-11-6-7-12-40)35(44)28(25)17-31(30)39-33;1-18-19(2)21(4)26(22(5)20(18)3)14-24(17-41)36-28-7-10-35-33(42)31(28)32-37-29-13-23-16-40(25-8-11-39(6)12-9-25)34(43)27(23)15-30(29)38-32/h7,10,15,17,26-27,43H,8-9,11-14,16,18-19H2,1-6H3,(H,39,40)(H2,37,38,44);9-10,15,17,26,42H,6-8,11-14,16,18-19H2,1-5H3,(H,38,39)(H2,36,37,43);7,10,13,15,24-25,41H,8-9,11-12,14,16-17H2,1-6H3,(H,37,38)(H2,35,36,42)/t2*26-;24-/m111/s1.
What are the key properties of 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?
2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one has a molecular weight of 1854.39 g/mol, XLogP of 13.38, 27 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2R)-1-hydroxy-3-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one is sourced from PubChem (CID 158470577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).