1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide

C26H30FN5O4 — CID 91114566

About 1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide

1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide (PubChem CID 91114566) has the molecular formula C26H30FN5O4 and a molecular weight of 495.56 g/mol. Its IUPAC name is 1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide
• PubChem CID: 91114566
• Molecular Formula: C26H30FN5O4
• Molecular Weight: 495.56 g/mol
• Exact Mass: 495.23
• IUPAC Name: 1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide
• SMILES: Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N1CCC(C(N)=O)(N2CCOCC2)CC1
• InChI: InChI=1S/C26H30FN5O4/c1-15-21(14-19-18-13-17(27)3-4-20(18)30-23(19)33)29-16(2)22(15)24(34)31-7-5-26(6-8-31,25(28)35)32-9-11-36-12-10-32/h3-4,13-14,29H,5-12H2,1-2H3,(H2,28,35)(H,30,33)
• InChIKey: WCZCUTQIMNMQJE-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 120.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.56
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide?

The IUPAC name of 1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide (CID 91114566) is 1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide?

The canonical SMILES for 1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide is Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N1CCC(C(N)=O)(N2CCOCC2)CC1.

What is the InChIKey of 1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide?

The InChIKey is WCZCUTQIMNMQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O4/c1-15-21(14-19-18-13-17(27)3-4-20(18)30-23(19)33)29-16(2)22(15)24(34)31-7-5-26(6-8-31,25(28)35)32-9-11-36-12-10-32/h3-4,13-14,29H,5-12H2,1-2H3,(H2,28,35)(H,30,33).

What are the key properties of 1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide?

1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 91114566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).