3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C37H41N7O6 — CID 154671984

IUPAC3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3cnn(C)c23)cc(OC)c1CN1CCC2(CC1)CN(c1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)C2
InChIInChI=1S/C37H41N7O6/c1-40-18-27(33-26(35(40)47)16-38-41(33)2)22-14-30(49-3)28(31(15-22)50-4)19-42-11-9-37(10-12-42)20-43(21-37)24-5-6-25-23(13-24)17-44(36(25)48)29-7-8-32(45)39-34(29)46/h5-6,13-16,18,29H,7-12,17,19-21H2,1-4H3,(H,39,45,46)
InChIKeyRSQQZZANNVRZOF-UHFFFAOYSA-N
MW679.78 g/mol
LogP2.82
Rot. Bonds7

About 3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 154671984) has the molecular formula C37H41N7O6 and a molecular weight of 679.78 g/mol. Its IUPAC name is 3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID154671984
Molecular FormulaC37H41N7O6
Molecular Weight679.78 g/mol
Exact Mass679.31
IUPAC Name3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3cnn(C)c23)cc(OC)c1CN1CCC2(CC1)CN(c1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)C2
InChIInChI=1S/C37H41N7O6/c1-40-18-27(33-26(35(40)47)16-38-41(33)2)22-14-30(49-3)28(31(15-22)50-4)19-42-11-9-37(10-12-42)20-43(21-37)24-5-6-25-23(13-24)17-44(36(25)48)29-7-8-32(45)39-34(29)46/h5-6,13-16,18,29H,7-12,17,19-21H2,1-4H3,(H,39,45,46)
InChIKeyRSQQZZANNVRZOF-UHFFFAOYSA-N
XLogP2.82
TPSA131.24 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 154671984) is 3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3cnn(C)c23)cc(OC)c1CN1CCC2(CC1)CN(c1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)C2.
What is the InChIKey of 3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is RSQQZZANNVRZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N7O6/c1-40-18-27(33-26(35(40)47)16-38-41(33)2)22-14-30(49-3)28(31(15-22)50-4)19-42-11-9-37(10-12-42)20-43(21-37)24-5-6-25-23(13-24)17-44(36(25)48)29-7-8-32(45)39-34(29)46/h5-6,13-16,18,29H,7-12,17,19-21H2,1-4H3,(H,39,45,46).
What are the key properties of 3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 679.78 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[7-[[4-(1,5-dimethyl-4-oxopyrazolo[4,5-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 154671984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).