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

C32H35FN6O5 — CID 164719833

IUPAC3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(F)c1CN1CCC(COc2ccc(NC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C32H35FN6O5/c1-38-16-24(23-15-34-37-30(23)32(38)42)20-13-26(33)25(28(14-20)43-2)17-39-11-9-19(10-12-39)18-44-22-5-3-21(4-6-22)35-27-7-8-29(40)36-31(27)41/h3-6,13-16,19,27,35H,7-12,17-18H2,1-2H3,(H,34,37)(H,36,40,41)
InChIKeyRAGJLKDGBSSTPI-UHFFFAOYSA-N
MW602.67 g/mol
LogP3.58
Rot. Bonds9

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

3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione (PubChem CID 164719833) has the molecular formula C32H35FN6O5 and a molecular weight of 602.67 g/mol. Its IUPAC name is 3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione
PubChem CID164719833
Molecular FormulaC32H35FN6O5
Molecular Weight602.67 g/mol
Exact Mass602.27
IUPAC Name3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(F)c1CN1CCC(COc2ccc(NC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C32H35FN6O5/c1-38-16-24(23-15-34-37-30(23)32(38)42)20-13-26(33)25(28(14-20)43-2)17-39-11-9-19(10-12-39)18-44-22-5-3-21(4-6-22)35-27-7-8-29(40)36-31(27)41/h3-6,13-16,19,27,35H,7-12,17-18H2,1-2H3,(H,34,37)(H,36,40,41)
InChIKeyRAGJLKDGBSSTPI-UHFFFAOYSA-N
XLogP3.58
TPSA130.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.67
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[3-fluoro-4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 164720512
[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate
CID 164719735
3-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-fluoroanilino]piperidine-2,6-dione
CID 163661669
(3S)-3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 166729949
3-[4-[1-[6-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-6-oxohexyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 164720212
3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 166730117
3-[4-[4-[[4-[2-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]ethyl]phenyl]methyl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 164962924
3-[3-chloro-4-[1-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 165059125
3-[4-[1-[(3aS,6aR)-2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;methane
CID 165048634
3-[4-[4-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 158176327
3-[4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
CID 164720050
4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 169241756

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione (CID 164719833) is 3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(F)c1CN1CCC(COc2ccc(NC3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione?
The InChIKey is RAGJLKDGBSSTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN6O5/c1-38-16-24(23-15-34-37-30(23)32(38)42)20-13-26(33)25(28(14-20)43-2)17-39-11-9-19(10-12-39)18-44-22-5-3-21(4-6-22)35-27-7-8-29(40)36-31(27)41/h3-6,13-16,19,27,35H,7-12,17-18H2,1-2H3,(H,34,37)(H,36,40,41).
What are the key properties of 3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione?
3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione has a molecular weight of 602.67 g/mol, XLogP of 3.58, 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-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione is sourced from PubChem (CID 164719833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).