2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one

C120H131ClF4N24O11 — CID 158020200

About 2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one

2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one (PubChem CID 158020200) has the molecular formula C120H131ClF4N24O11 and a molecular weight of 2196.97 g/mol. Its IUPAC name is 2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one.

Molecular Properties

• Compound Name: 2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
• PubChem CID: 158020200
• Molecular Formula: C120H131ClF4N24O11
• Molecular Weight: 2196.97 g/mol
• Exact Mass: 2195.01
• IUPAC Name: 2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
• SMILES: COc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCOCC1)C3=O.C[C@@H](Cc1cc(F)ccc1Cl)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2c(C)c3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCOCC1)C3=O
• InChI: InChI=1S/C31H35FN6O2.C30H33FN6O4.C30H33FN6O3.C29H30ClFN6O2/c1-18-6-7-23(32)15-21(18)14-19(2)34-24-8-9-33-30(39)27(24)29-35-25-16-22-17-38(13-12-37-10-4-5-11-37)31(40)26(22)20(3)28(25)36-29;1-18(13-19-14-21(31)3-4-26(19)40-2)33-23-5-6-32-29(38)27(23)28-34-24-15-20-17-37(8-7-36-9-11-41-12-10-36)30(39)22(20)16-25(24)35-28;1-18-3-4-22(31)14-20(18)13-19(2)33-24-5-6-32-29(38)27(24)28-34-25-15-21-17-37(8-7-36-9-11-40-12-10-36)30(39)23(21)16-26(25)35-28;1-17(12-18-13-20(31)4-5-22(18)30)33-23-6-7-32-28(38)26(23)27-34-24-14-19-16-37(11-10-36-8-2-3-9-36)29(39)21(19)15-25(24)35-27/h6-9,15-16,19H,4-5,10-14,17H2,1-3H3,(H,35,36)(H2,33,34,39);3-6,14-16,18H,7-13,17H2,1-2H3,(H,34,35)(H2,32,33,38);3-6,14-16,19H,7-13,17H2,1-2H3,(H,34,35)(H2,32,33,38);4-7,13-15,17H,2-3,8-12,16H2,1H3,(H,34,35)(H2,32,33,38)/t19-;18-;19-;17-/m0000/s1
• InChIKey: FFYUGWXTNPCPAJ-LKXKHCDZSA-N
• XLogP: 16.67
• TPSA: 416.17 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 33
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2196.97
LogP ≤ 5	16.67
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?

The IUPAC name of 2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one (CID 158020200) is 2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one.

What is the SMILES notation for 2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?

The canonical SMILES for 2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one is COc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCOCC1)C3=O.C[C@@H](Cc1cc(F)ccc1Cl)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2c(C)c3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccc(F)cc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCOCC1)C3=O.

What is the InChIKey of 2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?

The InChIKey is FFYUGWXTNPCPAJ-LKXKHCDZSA-N. The full InChI is InChI=1S/C31H35FN6O2.C30H33FN6O4.C30H33FN6O3.C29H30ClFN6O2/c1-18-6-7-23(32)15-21(18)14-19(2)34-24-8-9-33-30(39)27(24)29-35-25-16-22-17-38(13-12-37-10-4-5-11-37)31(40)26(22)20(3)28(25)36-29;1-18(13-19-14-21(31)3-4-26(19)40-2)33-23-5-6-32-29(38)27(23)28-34-24-15-20-17-37(8-7-36-9-11-41-12-10-36)30(39)22(20)16-25(24)35-28;1-18-3-4-22(31)14-20(18)13-19(2)33-24-5-6-32-29(38)27(24)28-34-25-15-21-17-37(8-7-36-9-11-40-12-10-36)30(39)23(21)16-26(25)35-28;1-17(12-18-13-20(31)4-5-22(18)30)33-23-6-7-32-28(38)26(23)27-34-24-14-19-16-37(11-10-36-8-2-3-9-36)29(39)21(19)15-25(24)35-27/h6-9,15-16,19H,4-5,10-14,17H2,1-3H3,(H,35,36)(H2,33,34,39);3-6,14-16,18H,7-13,17H2,1-2H3,(H,34,35)(H2,32,33,38);3-6,14-16,19H,7-13,17H2,1-2H3,(H,34,35)(H2,32,33,38);4-7,13-15,17H,2-3,8-12,16H2,1H3,(H,34,35)(H2,32,33,38)/t19-;18-;19-;17-/m0000/s1.

What are the key properties of 2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?

2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one has a molecular weight of 2196.97 g/mol, XLogP of 16.67, 33 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[(2S)-1-(2-chloro-5-fluorophenyl)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-[4-[[(2S)-1-(5-fluoro-2-methoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-8-methyl-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-morpholin-4-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one is sourced from PubChem (CID 158020200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).