4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

About 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 176932690) has the molecular formula C44H46F2N8O4 and a molecular weight of 788.90 g/mol. Its IUPAC name is 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name	4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
PubChem CID	176932690
Molecular Formula	C44H46F2N8O4
Molecular Weight	788.90 g/mol
Exact Mass	788.36
IUPAC Name	4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILES	CCN(C)C(=O)c1cc2c(-c3ccc(C4CCN(c5ccc(C6CCC(=O)NC6=O)cc5F)CC4)cc3)cc(C3=CCCN(C(=O)CCn4ccnn4)C3)c(F)c2[nH]1
InChI	InChI=1S/C44H46F2N8O4/c1-3-51(2)44(58)37-25-35-33(24-34(41(46)42(35)48-37)31-5-4-18-53(26-31)40(56)16-21-54-22-17-47-50-54)29-8-6-27(7-9-29)28-14-19-52(20-15-28)38-12-10-30(23-36(38)45)32-11-13-39(55)49-43(32)57/h5-10,12,17,22-25,28,32,48H,3-4,11,13-16,18-21,26H2,1-2H3,(H,49,55,57)
InChIKey	ROQPUGGYVIDFDW-UHFFFAOYSA-N
XLogP	6.41
TPSA	136.53 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	10
Heavy Atoms	58
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.90
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The IUPAC name of 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 176932690) is 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is CCN(C)C(=O)c1cc2c(-c3ccc(C4CCN(c5ccc(C6CCC(=O)NC6=O)cc5F)CC4)cc3)cc(C3=CCCN(C(=O)CCn4ccnn4)C3)c(F)c2[nH]1.

What is the InChIKey of 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The InChIKey is ROQPUGGYVIDFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46F2N8O4/c1-3-51(2)44(58)37-25-35-33(24-34(41(46)42(35)48-37)31-5-4-18-53(26-31)40(56)16-21-54-22-17-47-50-54)29-8-6-27(7-9-29)28-14-19-52(20-15-28)38-12-10-30(23-36(38)45)32-11-13-39(55)49-43(32)57/h5-10,12,17,22-25,28,32,48H,3-4,11,13-16,18-21,26H2,1-2H3,(H,49,55,57).

What are the key properties of 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 788.90 g/mol, XLogP of 6.41, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-N-ethyl-7-fluoro-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 176932690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).