5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

About 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 59215968) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name	5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID	59215968
Molecular Formula	C23H27FN4O3
Molecular Weight	426.49 g/mol
Exact Mass	426.21
IUPAC Name	5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILES	Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC1CCN(CCO)CC1
InChI	InChI=1S/C23H27FN4O3/c1-13-20(12-18-17-11-15(24)3-4-19(17)27-22(18)30)25-14(2)21(13)23(31)26-16-5-7-28(8-6-16)9-10-29/h3-4,11-12,16,25,29H,5-10H2,1-2H3,(H,26,31)(H,27,30)/b18-12-
InChIKey	FBETXFNKOQZFCL-PDGQHHTCSA-N
XLogP	2.45
TPSA	97.46 Å²
H-Bond Donors	4
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.49
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 59215968) is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC1CCN(CCO)CC1.

What is the InChIKey of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The InChIKey is FBETXFNKOQZFCL-PDGQHHTCSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-13-20(12-18-17-11-15(24)3-4-19(17)27-22(18)30)25-14(2)21(13)23(31)26-16-5-7-28(8-6-16)9-10-29/h3-4,11-12,16,25,29H,5-10H2,1-2H3,(H,26,31)(H,27,30)/b18-12-.

What are the key properties of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 2.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59215968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).