1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide

C32H33ClFN7O5 — CID 164719713

IUPAC1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(Cl)c1CN1CCC(C(=O)Nc2ccc(NC3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C32H33ClFN7O5/c1-40-15-21(20-14-35-39-29(20)32(40)45)18-11-23(33)22(27(12-18)46-2)16-41-9-7-17(8-10-41)30(43)37-25-4-3-19(13-24(25)34)36-26-5-6-28(42)38-31(26)44/h3-4,11-15,17,26,36H,5-10,16H2,1-2H3,(H,35,39)(H,37,43)(H,38,42,44)
InChIKeyHNZIAIOVCRAICD-UHFFFAOYSA-N
MW650.11 g/mol
LogP3.80
Rot. Bonds8

About 1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide

1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide (PubChem CID 164719713) has the molecular formula C32H33ClFN7O5 and a molecular weight of 650.11 g/mol. Its IUPAC name is 1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide
PubChem CID164719713
Molecular FormulaC32H33ClFN7O5
Molecular Weight650.11 g/mol
Exact Mass649.22
IUPAC Name1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(Cl)c1CN1CCC(C(=O)Nc2ccc(NC3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C32H33ClFN7O5/c1-40-15-21(20-14-35-39-29(20)32(40)45)18-11-23(33)22(27(12-18)46-2)16-41-9-7-17(8-10-41)30(43)37-25-4-3-19(13-24(25)34)36-26-5-6-28(42)38-31(26)44/h3-4,11-15,17,26,36H,5-10,16H2,1-2H3,(H,35,39)(H,37,43)(H,38,42,44)
InChIKeyHNZIAIOVCRAICD-UHFFFAOYSA-N
XLogP3.80
TPSA150.45 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.11
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide (CID 164719713) is 1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(Cl)c1CN1CCC(C(=O)Nc2ccc(NC3CCC(=O)NC3=O)cc2F)CC1.
What is the InChIKey of 1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide?
The InChIKey is HNZIAIOVCRAICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClFN7O5/c1-40-15-21(20-14-35-39-29(20)32(40)45)18-11-23(33)22(27(12-18)46-2)16-41-9-7-17(8-10-41)30(43)37-25-4-3-19(13-24(25)34)36-26-5-6-28(42)38-31(26)44/h3-4,11-15,17,26,36H,5-10,16H2,1-2H3,(H,35,39)(H,37,43)(H,38,42,44).
What are the key properties of 1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide?
1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide has a molecular weight of 650.11 g/mol, XLogP of 3.80, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-N-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carboxamide is sourced from PubChem (CID 164719713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).