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

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

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-(triazol-1-yl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 10295916) has the molecular formula C21H21FN6O3 and a molecular weight of 424.44 g/mol. Its IUPAC name is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-(triazol-1-yl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name	5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-(triazol-1-yl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID	10295916
Molecular Formula	C21H21FN6O3
Molecular Weight	424.44 g/mol
Exact Mass	424.17
IUPAC Name	5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-(triazol-1-yl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILES	Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(O)Cn1ccnn1
InChI	InChI=1S/C21H21FN6O3/c1-11-18(8-16-15-7-13(22)3-4-17(15)26-20(16)30)25-12(2)19(11)21(31)23-9-14(29)10-28-6-5-24-27-28/h3-8,14,25,29H,9-10H2,1-2H3,(H,23,31)(H,26,30)/b16-8-
InChIKey	KPVYKYXRAWCRQG-PXNMLYILSA-N
XLogP	1.65
TPSA	124.93 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.44
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

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-[2-hydroxy-3-(triazol-1-yl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-(triazol-1-yl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 10295916) is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-(triazol-1-yl)propyl]-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-[2-hydroxy-3-(triazol-1-yl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-(triazol-1-yl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(O)Cn1ccnn1.

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

The InChIKey is KPVYKYXRAWCRQG-PXNMLYILSA-N. The full InChI is InChI=1S/C21H21FN6O3/c1-11-18(8-16-15-7-13(22)3-4-17(15)26-20(16)30)25-12(2)19(11)21(31)23-9-14(29)10-28-6-5-24-27-28/h3-8,14,25,29H,9-10H2,1-2H3,(H,23,31)(H,26,30)/b16-8-.

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

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-(triazol-1-yl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-(triazol-1-yl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 10295916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).