ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione

C25H24N6O3 — CID 155710620

IUPACethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
SMILESCC.CN(c1c[nH]c2ncccc12)c1cnc2c3c(cccc13)C(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C23H18N6O3.C2H6/c1-28(17-10-25-20-13(17)6-3-9-24-20)16-11-26-21-19-12(16)4-2-5-14(19)23(32)29(21)15-7-8-18(30)27-22(15)31;1-2/h2-6,9-11,15H,7-8H2,1H3,(H,24,25)(H,27,30,31);1-2H3
InChIKeyHJCZXJARNQXPGI-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.67
Rot. Bonds3

About ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione

ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione (PubChem CID 155710620) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
PubChem CID155710620
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Nameethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
SMILESCC.CN(c1c[nH]c2ncccc12)c1cnc2c3c(cccc13)C(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C23H18N6O3.C2H6/c1-28(17-10-25-20-13(17)6-3-9-24-20)16-11-26-21-19-12(16)4-2-5-14(19)23(32)29(21)15-7-8-18(30)27-22(15)31;1-2/h2-6,9-11,15H,7-8H2,1H3,(H,24,25)(H,27,30,31);1-2H3
InChIKeyHJCZXJARNQXPGI-UHFFFAOYSA-N
XLogP3.67
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

ethane;3-[3-oxo-9-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfanyl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 155710380
3-[3-oxo-9-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfanyl)-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 155710381
ethane;3-[9-[fluoro(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 155710517
3-[9-[difluoro(phenyl)methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 155710177
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
3-[2-oxo-6-(pyridin-2-ylamino)benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155710559
3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 155710312
3-(10-bromo-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-2-yl)piperidine-2,6-dione
CID 167009359
3-[5-[methyl(2,2,2-trifluoroethyl)amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163258558
3-[3-oxo-9-[1-(triazol-1-yl)cyclopropyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 155710271
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587

Frequently Asked Questions

What is the IUPAC name of ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione?
The IUPAC name of ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione (CID 155710620) is ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione is CC.CN(c1c[nH]c2ncccc12)c1cnc2c3c(cccc13)C(=O)N2C1CCC(=O)NC1=O.
What is the InChIKey of ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione?
The InChIKey is HJCZXJARNQXPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3.C2H6/c1-28(17-10-25-20-13(17)6-3-9-24-20)16-11-26-21-19-12(16)4-2-5-14(19)23(32)29(21)15-7-8-18(30)27-22(15)31;1-2/h2-6,9-11,15H,7-8H2,1H3,(H,24,25)(H,27,30,31);1-2H3.
What are the key properties of ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione?
ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione has a molecular weight of 456.51 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 155710620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).