2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one

C150H171FN26O11S2 — CID 160910278

IUPAC2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
SMILESCCN1CCC[C@@H]1CN1Cc2cc3c(cc2C1=O)CC(c1c(N[C@@H](C)Cc2sccc2C)cc[nH]c1=O)=N3.CCN1CCC[C@H]1CN1Cc2cc3c(cc2C1=O)CC(c1c(N[C@@H](C)Cc2sccc2C)cc[nH]c1=O)=N3.C[C@@H](Cc1ccco1)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.Cc1cccc(C)c1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3
InChIInChI=1S/C32H37N5O2.C31H34FN5O2.2C30H35N5O2S.C27H30N6O3/c1-20-7-6-8-21(2)25(20)15-22(3)34-27-9-10-33-31(38)30(27)29-17-23-16-26-24(18-28(23)35-29)19-37(32(26)39)14-13-36-11-4-5-12-36;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;2*1-4-34-10-5-6-22(34)17-35-16-21-15-25-20(13-23(21)30(35)37)14-26(33-25)28-24(7-9-31-29(28)36)32-19(3)12-27-18(2)8-11-38-27;1-17(13-19-5-4-12-36-19)29-21-6-7-28-26(34)24(21)25-30-22-14-18-16-33(11-10-32-8-2-3-9-32)27(35)20(18)15-23(22)31-25/h6-10,16,18,22H,4-5,11-15,17,19H2,1-3H3,(H2,33,34,38);5-8,14-15,17,20H,3-4,9-13,16,18H2,1-2H3,(H2,33,34,38);2*7-9,11,13,15,19,22H,4-6,10,12,14,16-17H2,1-3H3,(H2,31,32,36);4-7,12,14-15,17H,2-3,8-11,13,16H2,1H3,(H,30,31)(H2,28,29,34)/t22-;20-;19-,22+;19-,22-;17-/m00000/s1
InChIKeySQRKZWMTFABNHD-BXELJUOMSA-N
MW2597.32 g/mol
LogP22.77
Rot. Bonds40

About 2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)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-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one (PubChem CID 160910278) has the molecular formula C150H171FN26O11S2 and a molecular weight of 2597.32 g/mol. Its IUPAC name is 2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one.

Molecular Properties

Compound Name2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
PubChem CID160910278
Molecular FormulaC150H171FN26O11S2
Molecular Weight2597.32 g/mol
Exact Mass2595.30
IUPAC Name2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
SMILESCCN1CCC[C@@H]1CN1Cc2cc3c(cc2C1=O)CC(c1c(N[C@@H](C)Cc2sccc2C)cc[nH]c1=O)=N3.CCN1CCC[C@H]1CN1Cc2cc3c(cc2C1=O)CC(c1c(N[C@@H](C)Cc2sccc2C)cc[nH]c1=O)=N3.C[C@@H](Cc1ccco1)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.Cc1cccc(C)c1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3
InChIInChI=1S/C32H37N5O2.C31H34FN5O2.2C30H35N5O2S.C27H30N6O3/c1-20-7-6-8-21(2)25(20)15-22(3)34-27-9-10-33-31(38)30(27)29-17-23-16-26-24(18-28(23)35-29)19-37(32(26)39)14-13-36-11-4-5-12-36;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;2*1-4-34-10-5-6-22(34)17-35-16-21-15-25-20(13-23(21)30(35)37)14-26(33-25)28-24(7-9-31-29(28)36)32-19(3)12-27-18(2)8-11-38-27;1-17(13-19-5-4-12-36-19)29-21-6-7-28-26(34)24(21)25-30-22-14-18-16-33(11-10-32-8-2-3-9-32)27(35)20(18)15-23(22)31-25/h6-10,16,18,22H,4-5,11-15,17,19H2,1-3H3,(H2,33,34,38);5-8,14-15,17,20H,3-4,9-13,16,18H2,1-2H3,(H2,33,34,38);2*7-9,11,13,15,19,22H,4-6,10,12,14,16-17H2,1-3H3,(H2,31,32,36);4-7,12,14-15,17H,2-3,8-11,13,16H2,1H3,(H,30,31)(H2,28,29,34)/t22-;20-;19-,22+;19-,22-;17-/m00000/s1
InChIKeySQRKZWMTFABNHD-BXELJUOMSA-N
XLogP22.77
TPSA433.46 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds40
Heavy Atoms190
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002597.32
LogP ≤ 522.77
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze 2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?
The IUPAC name of 2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)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 160910278) is 2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one.
What is the SMILES notation for 2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?
The canonical SMILES for 2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one is CCN1CCC[C@@H]1CN1Cc2cc3c(cc2C1=O)CC(c1c(N[C@@H](C)Cc2sccc2C)cc[nH]c1=O)=N3.CCN1CCC[C@H]1CN1Cc2cc3c(cc2C1=O)CC(c1c(N[C@@H](C)Cc2sccc2C)cc[nH]c1=O)=N3.C[C@@H](Cc1ccco1)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.Cc1cccc(C)c1C[C@H](C)Nc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(CCN1CCCC1)C3.
What is the InChIKey of 2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?
The InChIKey is SQRKZWMTFABNHD-BXELJUOMSA-N. The full InChI is InChI=1S/C32H37N5O2.C31H34FN5O2.2C30H35N5O2S.C27H30N6O3/c1-20-7-6-8-21(2)25(20)15-22(3)34-27-9-10-33-31(38)30(27)29-17-23-16-26-24(18-28(23)35-29)19-37(32(26)39)14-13-36-11-4-5-12-36;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;2*1-4-34-10-5-6-22(34)17-35-16-21-15-25-20(13-23(21)30(35)37)14-26(33-25)28-24(7-9-31-29(28)36)32-19(3)12-27-18(2)8-11-38-27;1-17(13-19-5-4-12-36-19)29-21-6-7-28-26(34)24(21)25-30-22-14-18-16-33(11-10-32-8-2-3-9-32)27(35)20(18)15-23(22)31-25/h6-10,16,18,22H,4-5,11-15,17,19H2,1-3H3,(H2,33,34,38);5-8,14-15,17,20H,3-4,9-13,16,18H2,1-2H3,(H2,33,34,38);2*7-9,11,13,15,19,22H,4-6,10,12,14,16-17H2,1-3H3,(H2,31,32,36);4-7,12,14-15,17H,2-3,8-11,13,16H2,1H3,(H,30,31)(H2,28,29,34)/t22-;20-;19-,22+;19-,22-;17-/m00000/s1.
What are the key properties of 2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)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-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one has a molecular weight of 2597.32 g/mol, XLogP of 22.77, 40 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-1-(2,6-dimethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;6-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[4-[[(2S)-1-(3-methylthiophen-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,7-dihydropyrrolo[3,4-f]indol-5-one;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;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one is sourced from PubChem (CID 160910278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).