3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione

C41H50N8O6 — CID 166629259

IUPAC3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC2(CC1)CN(C(=O)CN1CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC1)C2
InChIInChI=1S/C41H50N8O6/c1-46-21-31(30-20-42-45-38(30)40(46)53)28-18-34(54-2)32(35(19-28)55-3)22-48-16-12-41(13-17-48)24-49(25-41)37(51)23-47-14-10-27(11-15-47)26-4-6-29(7-5-26)43-33-8-9-36(50)44-39(33)52/h4-7,18-21,27,33,43H,8-17,22-25H2,1-3H3,(H,42,45)(H,44,50,52)
InChIKeyOXPZXMUNJKFVKB-UHFFFAOYSA-N
MW750.90 g/mol
LogP3.47
Rot. Bonds10

About 3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione

3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione (PubChem CID 166629259) has the molecular formula C41H50N8O6 and a molecular weight of 750.90 g/mol. Its IUPAC name is 3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
PubChem CID166629259
Molecular FormulaC41H50N8O6
Molecular Weight750.90 g/mol
Exact Mass750.39
IUPAC Name3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC2(CC1)CN(C(=O)CN1CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC1)C2
InChIInChI=1S/C41H50N8O6/c1-46-21-31(30-20-42-45-38(30)40(46)53)28-18-34(54-2)32(35(19-28)55-3)22-48-16-12-41(13-17-48)24-49(25-41)37(51)23-47-14-10-27(11-15-47)26-4-6-29(7-5-26)43-33-8-9-36(50)44-39(33)52/h4-7,18-21,27,33,43H,8-17,22-25H2,1-3H3,(H,42,45)(H,44,50,52)
InChIKeyOXPZXMUNJKFVKB-UHFFFAOYSA-N
XLogP3.47
TPSA154.13 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.90
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione (CID 166629259) is 3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC2(CC1)CN(C(=O)CN1CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC1)C2.
What is the InChIKey of 3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The InChIKey is OXPZXMUNJKFVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H50N8O6/c1-46-21-31(30-20-42-45-38(30)40(46)53)28-18-34(54-2)32(35(19-28)55-3)22-48-16-12-41(13-17-48)24-49(25-41)37(51)23-47-14-10-27(11-15-47)26-4-6-29(7-5-26)43-33-8-9-36(50)44-39(33)52/h4-7,18-21,27,33,43H,8-17,22-25H2,1-3H3,(H,42,45)(H,44,50,52).
What are the key properties of 3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione has a molecular weight of 750.90 g/mol, XLogP of 3.47, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[2-[7-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 166629259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).