N,N-dimethylformamide;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

C45H51F2N9O5 — CID 176932693

About N,N-dimethylformamide;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

N,N-dimethylformamide;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 176932693) has the molecular formula C45H51F2N9O5 and a molecular weight of 835.96 g/mol. Its IUPAC name is N,N-dimethylformamide;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 Name: N,N-dimethylformamide;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: 176932693
• Molecular Formula: C45H51F2N9O5
• Molecular Weight: 835.96 g/mol
• Exact Mass: 835.40
• IUPAC Name: N,N-dimethylformamide;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
• SMILES: CN(C)C=O.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
• InChI: InChI=1S/C42H44F2N8O4.C3H7NO/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;1-4(2)3-5/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);3H,1-2H3
• InChIKey: AEXHGRRFFVFXTM-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 157.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.96
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;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 N,N-dimethylformamide;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 176932693) is N,N-dimethylformamide;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 N,N-dimethylformamide;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 N,N-dimethylformamide;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 CN(C)C=O.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 N,N-dimethylformamide;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 AEXHGRRFFVFXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44F2N8O4.C3H7NO/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;1-4(2)3-5/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);3H,1-2H3.

What are the key properties of N,N-dimethylformamide;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?

N,N-dimethylformamide;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 835.96 g/mol, XLogP of 6.03, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethylformamide;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 176932693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).