3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione

C38H44FN7O5 — CID 164719721

IUPAC3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(F)c1CC1CCN(CC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1
InChIInChI=1S/C38H44FN7O5/c1-44-21-30(29-20-40-43-36(29)38(44)50)26-18-31(39)28(33(19-26)51-2)17-23-9-13-45(14-10-23)22-35(48)46-15-11-25(12-16-46)24-3-5-27(6-4-24)41-32-7-8-34(47)42-37(32)49/h3-6,18-21,23,25,32,41H,7-17,22H2,1-2H3,(H,40,43)(H,42,47,49)
InChIKeyMEVKSSJQKDFPAM-UHFFFAOYSA-N
MW697.81 g/mol
LogP3.95
Rot. Bonds9

About 3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione

3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione (PubChem CID 164719721) has the molecular formula C38H44FN7O5 and a molecular weight of 697.81 g/mol. Its IUPAC name is 3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione
PubChem CID164719721
Molecular FormulaC38H44FN7O5
Molecular Weight697.81 g/mol
Exact Mass697.34
IUPAC Name3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(F)c1CC1CCN(CC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1
InChIInChI=1S/C38H44FN7O5/c1-44-21-30(29-20-40-43-36(29)38(44)50)26-18-31(39)28(33(19-26)51-2)17-23-9-13-45(14-10-23)22-35(48)46-15-11-25(12-16-46)24-3-5-27(6-4-24)41-32-7-8-34(47)42-37(32)49/h3-6,18-21,23,25,32,41H,7-17,22H2,1-2H3,(H,40,43)(H,42,47,49)
InChIKeyMEVKSSJQKDFPAM-UHFFFAOYSA-N
XLogP3.95
TPSA141.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500697.81
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]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-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione (CID 164719721) is 3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(F)c1CC1CCN(CC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1.
What is the InChIKey of 3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The InChIKey is MEVKSSJQKDFPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44FN7O5/c1-44-21-30(29-20-40-43-36(29)38(44)50)26-18-31(39)28(33(19-26)51-2)17-23-9-13-45(14-10-23)22-35(48)46-15-11-25(12-16-46)24-3-5-27(6-4-24)41-32-7-8-34(47)42-37(32)49/h3-6,18-21,23,25,32,41H,7-17,22H2,1-2H3,(H,40,43)(H,42,47,49).
What are the key properties of 3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione has a molecular weight of 697.81 g/mol, XLogP of 3.95, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 164719721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).