N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

About N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 11214663) has the molecular formula C28H35FN4O5 and a molecular weight of 526.61 g/mol. Its IUPAC name is N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name	N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID	11214663
Molecular Formula	C28H35FN4O5
Molecular Weight	526.61 g/mol
Exact Mass	526.26
IUPAC Name	N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILES	Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCC(O)CC(O)CC(=O)N1CCCCC1
InChI	InChI=1S/C28H35FN4O5/c1-16-24(15-22-21-12-18(29)6-7-23(21)32-27(22)37)31-17(2)26(16)28(38)30-9-8-19(34)13-20(35)14-25(36)33-10-4-3-5-11-33/h6-7,12,15,19-20,31,34-35H,3-5,8-11,13-14H2,1-2H3,(H,30,38)(H,32,37)/b22-15-
InChIKey	VAICWHHZJAPMKA-JCMHNJIXSA-N
XLogP	2.90
TPSA	134.76 Å²
H-Bond Donors	5
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.61
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 11214663) is N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCC(O)CC(O)CC(=O)N1CCCCC1.

What is the InChIKey of N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The InChIKey is VAICWHHZJAPMKA-JCMHNJIXSA-N. The full InChI is InChI=1S/C28H35FN4O5/c1-16-24(15-22-21-12-18(29)6-7-23(21)32-27(22)37)31-17(2)26(16)28(38)30-9-8-19(34)13-20(35)14-25(36)33-10-4-3-5-11-33/h6-7,12,15,19-20,31,34-35H,3-5,8-11,13-14H2,1-2H3,(H,30,38)(H,32,37)/b22-15-.

What are the key properties of N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 526.61 g/mol, XLogP of 2.90, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 11214663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).