bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one)

C306H336F10N54O20 — CID 159132892

About bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one)

bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one) (PubChem CID 159132892) has the molecular formula C306H336F10N54O20 and a molecular weight of 5280.39 g/mol. Its IUPAC name is bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one).

Molecular Properties

• Compound Name: bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one)
• PubChem CID: 159132892
• Molecular Formula: C306H336F10N54O20
• Molecular Weight: 5280.39 g/mol
• Exact Mass: 5276.68
• IUPAC Name: bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one)
• SMILES: Cc1ccc(F)cc1C[C@H](C)/N=C1\C=CNC(=O)C1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.Cc1ccc(F)cc1C[C@H](C)/N=C1\C=CNC(=O)C1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.Cc1ccc(F)cc1C[C@H](C)/N=C1\C=CNC(=O)C1c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccc(F)cc1C[C@H](C)/N=C1\C=CNC(=O)C1c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3
• InChI: InChI=1S/6C31H34FN5O2.4C30H33FN6O2/c6*1-19-5-6-24(32)14-21(19)13-20(2)34-26-7-8-33-30(38)29(26)28-16-22-15-25-23(17-27(22)35-28)18-37(31(25)39)12-11-36-9-3-4-10-36;4*1-18-5-6-22(31)14-20(18)13-19(2)33-24-7-8-32-29(38)27(24)28-34-25-15-21-17-37(12-11-36-9-3-4-10-36)30(39)23(21)16-26(25)35-28/h4*5-8,14-15,17,20H,3-4,9-13,16,18H2,1-2H3,(H2,33,34,38);2*5-8,14-15,17,20,29H,3-4,9-13,16,18H2,1-2H3,(H,33,38);2*5-8,14-16,19H,3-4,9-13,17H2,1-2H3,(H,34,35)(H2,32,33,38);2*5-8,14-16,19,27H,3-4,9-13,17H2,1-2H3,(H,32,38)(H,34,35)/b;;;;2*34-26+;;;2*33-24+/t4*20-;2*20-,29?;2*19-;2*19-,27?/m0000000000/s1
• InChIKey: SPHUSBICOUOZPN-KBGKYTFSSA-N
• XLogP: 43.31
• TPSA: 859.56 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 50
• Rotatable Bonds: 76
• Heavy Atoms: 390
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5280.39
LogP ≤ 5	43.31
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one)?

The IUPAC name of bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one) (CID 159132892) is bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one).

What is the SMILES notation for bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one)?

The canonical SMILES for bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one) is Cc1ccc(F)cc1C[C@H](C)/N=C1\C=CNC(=O)C1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.Cc1ccc(F)cc1C[C@H](C)/N=C1\C=CNC(=O)C1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.Cc1ccc(F)cc1C[C@H](C)/N=C1\C=CNC(=O)C1c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccc(F)cc1C[C@H](C)/N=C1\C=CNC(=O)C1c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.

What is the InChIKey of bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one)?

The InChIKey is SPHUSBICOUOZPN-KBGKYTFSSA-N. The full InChI is InChI=1S/6C31H34FN5O2.4C30H33FN6O2/c6*1-19-5-6-24(32)14-21(19)13-20(2)34-26-7-8-33-30(38)29(26)28-16-22-15-25-23(17-27(22)35-28)18-37(31(25)39)12-11-36-9-3-4-10-36;4*1-18-5-6-22(31)14-20(18)13-19(2)33-24-7-8-32-29(38)27(24)28-34-25-15-21-17-37(12-11-36-9-3-4-10-36)30(39)23(21)16-26(25)35-28/h4*5-8,14-15,17,20H,3-4,9-13,16,18H2,1-2H3,(H2,33,34,38);2*5-8,14-15,17,20,29H,3-4,9-13,16,18H2,1-2H3,(H,33,38);2*5-8,14-16,19H,3-4,9-13,17H2,1-2H3,(H,34,35)(H2,32,33,38);2*5-8,14-16,19,27H,3-4,9-13,17H2,1-2H3,(H,32,38)(H,34,35)/b;;;;2*34-26+;;;2*33-24+/t4*20-;2*20-,29?;2*19-;2*19-,27?/m0000000000/s1.

What are the key properties of bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one)?

bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one) has a molecular weight of 5280.39 g/mol, XLogP of 43.31, 76 rotatable bonds, 20 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[4-[[(2S)-1-(5-fluoro-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);tetrakis(2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one);bis(2-[4-[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]imino-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one) is sourced from PubChem (CID 159132892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).