3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide

C39H41N11O6 — CID 168902681

IUPAC3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide
SMILESCCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3CN(C)C(=O)CCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2=O)n1
InChIInChI=1S/C39H41N11O6/c1-4-47-21-41-45-35(47)27-11-6-12-30(42-27)49-19-25-24(37(49)54)18-31(48-17-7-8-22(48)2)43-28(25)20-46(3)33(52)15-16-40-26-10-5-9-23-34(26)39(56)50(38(23)55)29-13-14-32(51)44-36(29)53/h5-6,9-12,18,21-22,29,40H,4,7-8,13-17,19-20H2,1-3H3,(H,44,51,53)/t22-,29?/m1/s1
InChIKeySKSDAGRGTUUZKX-DMDVIOLWSA-N
MW759.83 g/mol
LogP2.77
Rot. Bonds11

About 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide

3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide (PubChem CID 168902681) has the molecular formula C39H41N11O6 and a molecular weight of 759.83 g/mol. Its IUPAC name is 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide
PubChem CID168902681
Molecular FormulaC39H41N11O6
Molecular Weight759.83 g/mol
Exact Mass759.32
IUPAC Name3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide
SMILESCCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3CN(C)C(=O)CCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2=O)n1
InChIInChI=1S/C39H41N11O6/c1-4-47-21-41-45-35(47)27-11-6-12-30(42-27)49-19-25-24(37(49)54)18-31(48-17-7-8-22(48)2)43-28(25)20-46(3)33(52)15-16-40-26-10-5-9-23-34(26)39(56)50(38(23)55)29-13-14-32(51)44-36(29)53/h5-6,9-12,18,21-22,29,40H,4,7-8,13-17,19-20H2,1-3H3,(H,44,51,53)/t22-,29?/m1/s1
InChIKeySKSDAGRGTUUZKX-DMDVIOLWSA-N
XLogP2.77
TPSA195.93 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.83
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide with MolForge

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Related Compounds

4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylidenepyrrolidin-1-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylbutanamide
CID 168902636
tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate
CID 146593146
tert-butyl N-[[2-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
CID 167495274
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695
2-(2,6-dioxopiperidin-3-yl)-4-[[8-[(3S)-3-methylmorpholin-4-yl]-8-oxooctyl]amino]isoindole-1,3-dione
CID 166426985
2-(2,6-dioxopiperidin-3-yl)-4-[[3-oxo-3-(4-propylpiperazin-1-yl)propyl]amino]isoindole-1,3-dione
CID 149239463
4-[3-(diethylamino)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168941433
10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decylcarbamic acid
CID 155011882
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate
CID 175445106
2-(2,6-dioxopiperidin-3-yl)-4-(6-oxoheptylamino)isoindole-1,3-dione;ethane
CID 170704031
3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-N-methylpropanamide
CID 166813710
2-(2,6-dioxopiperidin-3-yl)-4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]isoindole-1,3-dione
CID 171726342

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide?
The IUPAC name of 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide (CID 168902681) is 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide is CCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3CN(C)C(=O)CCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2=O)n1.
What is the InChIKey of 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide?
The InChIKey is SKSDAGRGTUUZKX-DMDVIOLWSA-N. The full InChI is InChI=1S/C39H41N11O6/c1-4-47-21-41-45-35(47)27-11-6-12-30(42-27)49-19-25-24(37(49)54)18-31(48-17-7-8-22(48)2)43-28(25)20-46(3)33(52)15-16-40-26-10-5-9-23-34(26)39(56)50(38(23)55)29-13-14-32(51)44-36(29)53/h5-6,9-12,18,21-22,29,40H,4,7-8,13-17,19-20H2,1-3H3,(H,44,51,53)/t22-,29?/m1/s1.
What are the key properties of 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide?
3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide has a molecular weight of 759.83 g/mol, XLogP of 2.77, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 168902681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).