3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C22H26N6O3 — CID 167733281

IUPAC3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCn1nc(CNCc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c2c1CCNC2
InChIInChI=1S/C22H26N6O3/c1-27-18-7-8-23-10-15(18)17(26-27)11-24-9-13-3-2-4-14-16(13)12-28(22(14)31)19-5-6-20(29)25-21(19)30/h2-4,19,23-24H,5-12H2,1H3,(H,25,29,30)
InChIKeyAONUHFAPZIGERQ-UHFFFAOYSA-N
MW422.49 g/mol
LogP0.12
Rot. Bonds5

About 3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167733281) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167733281
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCn1nc(CNCc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c2c1CCNC2
InChIInChI=1S/C22H26N6O3/c1-27-18-7-8-23-10-15(18)17(26-27)11-24-9-13-3-2-4-14-16(13)12-28(22(14)31)19-5-6-20(29)25-21(19)30/h2-4,19,23-24H,5-12H2,1H3,(H,25,29,30)
InChIKeyAONUHFAPZIGERQ-UHFFFAOYSA-N
XLogP0.12
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione
CID 167723892
3-[3-oxo-7-[(2-piperazin-1-ylethylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167738612
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-[[[4-(methylamino)cyclohexyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717160
3-[7-[[2-(2-methylazetidin-2-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740199
3-[7-[[(4-methylpiperidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714315
3-[7-[[[(2S)-2-(methylamino)propyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167742117
3-[7-[[2-(azetidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167742706
3-[7-[[[3-(2-methyl-1,2,4-triazol-3-yl)azetidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167742303
3-[7-[[(3,3-difluoropiperidin-4-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725478
3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739085
3-[7-[[(2-amino-2-methylbutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722046

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167733281) is 3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cn1nc(CNCc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c2c1CCNC2.
What is the InChIKey of 3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is AONUHFAPZIGERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-27-18-7-8-23-10-15(18)17(26-27)11-24-9-13-3-2-4-14-16(13)12-28(22(14)31)19-5-6-20(29)25-21(19)30/h2-4,19,23-24H,5-12H2,1H3,(H,25,29,30).
What are the key properties of 3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 422.49 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167733281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).