3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione

C42H44F2N8O4 — CID 176932694

IUPAC3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione
SMILESCOc1cc(C2CCN(c3ccc(-c4cc(C5=CCCN(C(=O)CCn6cccn6)C5)c(F)c5[nH]c(C)cc45)cn3)CC2)c(F)cc1NC1CCC(=O)NC1=O
InChIInChI=1S/C42H44F2N8O4/c1-25-19-32-29(20-31(40(44)41(32)47-25)28-5-3-14-51(24-28)39(54)12-18-52-15-4-13-46-52)27-6-8-37(45-23-27)50-16-10-26(11-17-50)30-21-36(56-2)35(22-33(30)43)48-34-7-9-38(53)49-42(34)55/h4-6,8,13,15,19-23,26,34,47-48H,3,7,9-12,14,16-18,24H2,1-2H3,(H,49,53,55)
InChIKeyVBLDELAAGZUFKF-UHFFFAOYSA-N
MW762.86 g/mol
LogP6.33
Rot. Bonds10

About 3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione

3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione (PubChem CID 176932694) has the molecular formula C42H44F2N8O4 and a molecular weight of 762.86 g/mol. Its IUPAC name is 3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione
PubChem CID176932694
Molecular FormulaC42H44F2N8O4
Molecular Weight762.86 g/mol
Exact Mass762.35
IUPAC Name3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione
SMILESCOc1cc(C2CCN(c3ccc(-c4cc(C5=CCCN(C(=O)CCn6cccn6)C5)c(F)c5[nH]c(C)cc45)cn3)CC2)c(F)cc1NC1CCC(=O)NC1=O
InChIInChI=1S/C42H44F2N8O4/c1-25-19-32-29(20-31(40(44)41(32)47-25)28-5-3-14-51(24-28)39(54)12-18-52-15-4-13-46-52)27-6-8-37(45-23-27)50-16-10-26(11-17-50)30-21-36(56-2)35(22-33(30)43)48-34-7-9-38(53)49-42(34)55/h4-6,8,13,15,19-23,26,34,47-48H,3,7,9-12,14,16-18,24H2,1-2H3,(H,49,53,55)
InChIKeyVBLDELAAGZUFKF-UHFFFAOYSA-N
XLogP6.33
TPSA137.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.86
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione?
The IUPAC name of 3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione (CID 176932694) is 3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione?
The canonical SMILES for 3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione is COc1cc(C2CCN(c3ccc(-c4cc(C5=CCCN(C(=O)CCn6cccn6)C5)c(F)c5[nH]c(C)cc45)cn3)CC2)c(F)cc1NC1CCC(=O)NC1=O.
What is the InChIKey of 3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione?
The InChIKey is VBLDELAAGZUFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44F2N8O4/c1-25-19-32-29(20-31(40(44)41(32)47-25)28-5-3-14-51(24-28)39(54)12-18-52-15-4-13-46-52)27-6-8-37(45-23-27)50-16-10-26(11-17-50)30-21-36(56-2)35(22-33(30)43)48-34-7-9-38(53)49-42(34)55/h4-6,8,13,15,19-23,26,34,47-48H,3,7,9-12,14,16-18,24H2,1-2H3,(H,49,53,55).
What are the key properties of 3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione?
3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione has a molecular weight of 762.86 g/mol, XLogP of 6.33, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione is sourced from PubChem (CID 176932694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).