3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C43H54N6O7 — CID 159980918

IUPAC3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3c2ccn3C)cc(OC)c1CN(C)CC(=O)CCCCCCCCCNc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C43H54N6O7/c1-46(25-34-37(55-4)22-28(23-38(34)56-5)32-26-48(3)43(54)40-30(32)19-21-47(40)2)24-29(50)14-11-9-7-6-8-10-12-20-44-35-16-13-15-31-33(35)27-49(42(31)53)36-17-18-39(51)45-41(36)52/h13,15-16,19,21-23,26,36,44H,6-12,14,17-18,20,24-25,27H2,1-5H3,(H,45,51,52)
InChIKeyOFTIHWYLSJJBFA-UHFFFAOYSA-N
MW766.94 g/mol
LogP5.56
Rot. Bonds19

About 3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 159980918) has the molecular formula C43H54N6O7 and a molecular weight of 766.94 g/mol. Its IUPAC name is 3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID159980918
Molecular FormulaC43H54N6O7
Molecular Weight766.94 g/mol
Exact Mass766.41
IUPAC Name3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3c2ccn3C)cc(OC)c1CN(C)CC(=O)CCCCCCCCCNc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C43H54N6O7/c1-46(25-34-37(55-4)22-28(23-38(34)56-5)32-26-48(3)43(54)40-30(32)19-21-47(40)2)24-29(50)14-11-9-7-6-8-10-12-20-44-35-16-13-15-31-33(35)27-49(42(31)53)36-17-18-39(51)45-41(36)52/h13,15-16,19,21-23,26,36,44H,6-12,14,17-18,20,24-25,27H2,1-5H3,(H,45,51,52)
InChIKeyOFTIHWYLSJJBFA-UHFFFAOYSA-N
XLogP5.56
TPSA144.21 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500766.94
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(9-aminononanoyl)-2-oxopiperazin-1-yl]piperidine-2,6-dione;deuterio(fluoro)methane;2-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]acetic acid;2-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-N-[9-[4-(2,6-dioxopiperidin-3-yl)-3-oxopiperazin-1-yl]-9-oxononyl]acetamide
CID 161405984
N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 147975273
3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 154672348
2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]acetamide
CID 135397681
4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]acetic acid;2-[2-[(dimethylamino)methyl]-3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide
CID 160518776
2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-N-methylacetamide
CID 139373663
5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl-methylamino]ethyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 154671654
2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide
CID 162069952
(3S)-3-[7-[(3-chloro-4-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 121314503
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-N-methylacetamide
CID 171491512
tert-butyl N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-methylamino]butyl]carbamate
CID 170701960
3-[7-(2-chloroethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 142407873

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 159980918) is 3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3c2ccn3C)cc(OC)c1CN(C)CC(=O)CCCCCCCCCNc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is OFTIHWYLSJJBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H54N6O7/c1-46(25-34-37(55-4)22-28(23-38(34)56-5)32-26-48(3)43(54)40-30(32)19-21-47(40)2)24-29(50)14-11-9-7-6-8-10-12-20-44-35-16-13-15-31-33(35)27-49(42(31)53)36-17-18-39(51)45-41(36)52/h13,15-16,19,21-23,26,36,44H,6-12,14,17-18,20,24-25,27H2,1-5H3,(H,45,51,52).
What are the key properties of 3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 766.94 g/mol, XLogP of 5.56, 19 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[[11-[[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methyl-methylamino]-10-oxoundecyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 159980918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).