4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide

C43H41F3N10O7S — CID 168946103

IUPAC4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide
SMILESC[C@H](Oc1cc(-c2nn(C)c3c(-c4cnn(C5CCN(C(=O)c6ccc(C(=O)NC7CCC(=O)NC7=O)cc6)CC5)c4)cnc(N)c23)ccc1NS(=O)(=O)C(F)F)c1ccc(F)cc1
InChIInChI=1S/C43H41F3N10O7S/c1-23(24-7-10-29(44)11-8-24)63-34-19-27(9-12-32(34)53-64(61,62)43(45)46)37-36-38(54(2)52-37)31(21-48-39(36)47)28-20-49-56(22-28)30-15-17-55(18-16-30)42(60)26-5-3-25(4-6-26)40(58)50-33-13-14-35(57)51-41(33)59/h3-12,19-23,30,33,43,53H,13-18H2,1-2H3,(H2,47,48)(H,50,58)(H,51,57,59)/t23-,33?/m0/s1
InChIKeyIXLJIYJKAWIBBA-SBYCOZGSSA-N
MW898.92 g/mol
LogP5.34
Rot. Bonds12

About 4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide

4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide (PubChem CID 168946103) has the molecular formula C43H41F3N10O7S and a molecular weight of 898.92 g/mol. Its IUPAC name is 4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide
PubChem CID168946103
Molecular FormulaC43H41F3N10O7S
Molecular Weight898.92 g/mol
Exact Mass898.28
IUPAC Name4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide
SMILESC[C@H](Oc1cc(-c2nn(C)c3c(-c4cnn(C5CCN(C(=O)c6ccc(C(=O)NC7CCC(=O)NC7=O)cc6)CC5)c4)cnc(N)c23)ccc1NS(=O)(=O)C(F)F)c1ccc(F)cc1
InChIInChI=1S/C43H41F3N10O7S/c1-23(24-7-10-29(44)11-8-24)63-34-19-27(9-12-32(34)53-64(61,62)43(45)46)37-36-38(54(2)52-37)31(21-48-39(36)47)28-20-49-56(22-28)30-15-17-55(18-16-30)42(60)26-5-3-25(4-6-26)40(58)50-33-13-14-35(57)51-41(33)59/h3-12,19-23,30,33,43,53H,13-18H2,1-2H3,(H2,47,48)(H,50,58)(H,51,57,59)/t23-,33?/m0/s1
InChIKeyIXLJIYJKAWIBBA-SBYCOZGSSA-N
XLogP5.34
TPSA225.53 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500898.92
LogP ≤ 55.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide?
The IUPAC name of 4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide (CID 168946103) is 4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide.
What is the SMILES notation for 4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide?
The canonical SMILES for 4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide is C[C@H](Oc1cc(-c2nn(C)c3c(-c4cnn(C5CCN(C(=O)c6ccc(C(=O)NC7CCC(=O)NC7=O)cc6)CC5)c4)cnc(N)c23)ccc1NS(=O)(=O)C(F)F)c1ccc(F)cc1.
What is the InChIKey of 4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide?
The InChIKey is IXLJIYJKAWIBBA-SBYCOZGSSA-N. The full InChI is InChI=1S/C43H41F3N10O7S/c1-23(24-7-10-29(44)11-8-24)63-34-19-27(9-12-32(34)53-64(61,62)43(45)46)37-36-38(54(2)52-37)31(21-48-39(36)47)28-20-49-56(22-28)30-15-17-55(18-16-30)42(60)26-5-3-25(4-6-26)40(58)50-33-13-14-35(57)51-41(33)59/h3-12,19-23,30,33,43,53H,13-18H2,1-2H3,(H2,47,48)(H,50,58)(H,51,57,59)/t23-,33?/m0/s1.
What are the key properties of 4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide?
4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide has a molecular weight of 898.92 g/mol, XLogP of 5.34, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-amino-3-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carbonyl]-N-(2,6-dioxopiperidin-3-yl)benzamide is sourced from PubChem (CID 168946103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).