3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione

C40H39F4N9O4 — CID 176932523

IUPAC3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione
SMILESCOc1cc(N2CCN(c3ccc(-c4cc(C5=CCCN(C(=O)CCn6cccn6)C5)c(F)c5[nH]ncc45)c(F)c3F)CC2)c(F)cc1NC1CCC(=O)NC1=O
InChIInChI=1S/C40H39F4N9O4/c1-57-33-20-32(28(41)19-30(33)47-29-6-8-34(54)48-40(29)56)51-16-14-50(15-17-51)31-7-5-24(36(42)38(31)44)26-18-25(37(43)39-27(26)21-45-49-39)23-4-2-11-52(22-23)35(55)9-13-53-12-3-10-46-53/h3-5,7,10,12,18-21,29,47H,2,6,8-9,11,13-17,22H2,1H3,(H,45,49)(H,48,54,56)
InChIKeyQUHIVIOSMOODDB-UHFFFAOYSA-N
MW785.80 g/mol
LogP5.24
Rot. Bonds10

About 3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione

3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione (PubChem CID 176932523) has the molecular formula C40H39F4N9O4 and a molecular weight of 785.80 g/mol. Its IUPAC name is 3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione
PubChem CID176932523
Molecular FormulaC40H39F4N9O4
Molecular Weight785.80 g/mol
Exact Mass785.31
IUPAC Name3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione
SMILESCOc1cc(N2CCN(c3ccc(-c4cc(C5=CCCN(C(=O)CCn6cccn6)C5)c(F)c5[nH]ncc45)c(F)c3F)CC2)c(F)cc1NC1CCC(=O)NC1=O
InChIInChI=1S/C40H39F4N9O4/c1-57-33-20-32(28(41)19-30(33)47-29-6-8-34(54)48-40(29)56)51-16-14-50(15-17-51)31-7-5-24(36(42)38(31)44)26-18-25(37(43)39-27(26)21-45-49-39)23-4-2-11-52(22-23)35(55)9-13-53-12-3-10-46-53/h3-5,7,10,12,18-21,29,47H,2,6,8-9,11,13-17,22H2,1H3,(H,45,49)(H,48,54,56)
InChIKeyQUHIVIOSMOODDB-UHFFFAOYSA-N
XLogP5.24
TPSA140.72 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.80
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155437934
N-[2-[4-[[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypropyl-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448699
N-[4-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoyl]piperazin-1-yl]-2-methoxyphenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 177374761
N-[4-[4-[12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]dodecanoyl]piperazin-1-yl]-2-methoxyphenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 177374762
N-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyphenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 177374763
N-[4-[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyphenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 177650996
US20240423977, Example I-3
CID 175664344
US20240423977, Example I-4
CID 175664345
US20240423977, Example II-1
CID 175664348
US20240423977, Example II-4
CID 175664349
US20240423977, Example II-5
CID 175664350
US20240423977, Example II-10
CID 175664352

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione (CID 176932523) is 3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione is COc1cc(N2CCN(c3ccc(-c4cc(C5=CCCN(C(=O)CCn6cccn6)C5)c(F)c5[nH]ncc45)c(F)c3F)CC2)c(F)cc1NC1CCC(=O)NC1=O.
What is the InChIKey of 3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione?
The InChIKey is QUHIVIOSMOODDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39F4N9O4/c1-57-33-20-32(28(41)19-30(33)47-29-6-8-34(54)48-40(29)56)51-16-14-50(15-17-51)31-7-5-24(36(42)38(31)44)26-18-25(37(43)39-27(26)21-45-49-39)23-4-2-11-52(22-23)35(55)9-13-53-12-3-10-46-53/h3-5,7,10,12,18-21,29,47H,2,6,8-9,11,13-17,22H2,1H3,(H,45,49)(H,48,54,56).
What are the key properties of 3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione?
3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione has a molecular weight of 785.80 g/mol, XLogP of 5.24, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[2,3-difluoro-4-[7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indazol-4-yl]phenyl]piperazin-1-yl]-5-fluoro-2-methoxyanilino]piperidine-2,6-dione is sourced from PubChem (CID 176932523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).