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

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

N-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 58773258) has the molecular formula C24H28FN3O5 and a molecular weight of 457.50 g/mol. Its IUPAC name is N-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name	N-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID	58773258
Molecular Formula	C24H28FN3O5
Molecular Weight	457.50 g/mol
Exact Mass	457.20
IUPAC Name	N-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILES	CC(=O)C[C@H](O)C[C@H](O)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C
InChI	InChI=1S/C24H28FN3O5/c1-12(29)8-17(31)10-16(30)6-7-26-24(33)22-13(2)21(27-14(22)3)11-19-18-9-15(25)4-5-20(18)28-23(19)32/h4-5,9,11,16-17,27,30-31H,6-8,10H2,1-3H3,(H,26,33)(H,28,32)/b19-11-/t16-,17+/m1/s1
InChIKey	KMRSWVKVUVFQAS-HUVWLSNQSA-N
XLogP	2.47
TPSA	131.52 Å²
H-Bond Donors	5
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.50
LogP ≤ 5	2.47
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-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 58773258) is N-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-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-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is CC(=O)C[C@H](O)C[C@H](O)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.

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

The InChIKey is KMRSWVKVUVFQAS-HUVWLSNQSA-N. The full InChI is InChI=1S/C24H28FN3O5/c1-12(29)8-17(31)10-16(30)6-7-26-24(33)22-13(2)21(27-14(22)3)11-19-18-9-15(25)4-5-20(18)28-23(19)32/h4-5,9,11,16-17,27,30-31H,6-8,10H2,1-3H3,(H,26,33)(H,28,32)/b19-11-/t16-,17+/m1/s1.

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

N-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 457.50 g/mol, XLogP of 2.47, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 58773258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).