2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid

C26H25NO3 — CID 118709995

IUPAC2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C26H25NO3/c1-18(2)16-23(26(28)29)27-22(20-12-7-4-8-13-20)17-21(19-10-5-3-6-11-19)25(27)24-14-9-15-30-24/h3-15,17-18,23H,16H2,1-2H3,(H,28,29)
InChIKeyKOJBBWFWUUZUKV-UHFFFAOYSA-N
MW399.49 g/mol
LogP6.75
Rot. Bonds7

About 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid

2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid (PubChem CID 118709995) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid
PubChem CID118709995
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C26H25NO3/c1-18(2)16-23(26(28)29)27-22(20-12-7-4-8-13-20)17-21(19-10-5-3-6-11-19)25(27)24-14-9-15-30-24/h3-15,17-18,23H,16H2,1-2H3,(H,28,29)
InChIKeyKOJBBWFWUUZUKV-UHFFFAOYSA-N
XLogP6.75
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2s)-3-{4-[3-(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)propyl]phenyl}-2-(1h-Pyrrol-1-Yl)propanoic Acid
CID 24963031
Phenylpropanoic acid derivative, 40
CID 25014794
5-(4-Methoxy-phenyl)-1-vinyl-1H-pyrrole-2-carboxylic acid
CID 773799
1-methyl-5-phenoxy-1H-indole-2-carboxylic acid
CID 4983876
1-methyl-5-(3-methylphenoxy)-1H-indole-2-carboxylic acid
CID 5019869
1-Cyclohexyl-2-(3-furyl)-3-methyl-indole-5-carboxylic acid
CID 16076181
5-[3-(1-Benzylpiperidin-4-yl)propoxy]-1-methylindole-2-carboxylic acid
CID 76325640
1-Methyl-5-phenylmethoxyindole-2-carboxylic acid
CID 4777878
3-[4-(1-furan-2-ylmethyl-1H-indol-3-yl)piperidin-1-ylmethyl]benzoic acid
CID 10273238
1-(2-(4-carboxyphenoxy)ethyl)-3-dodecanoyl-1H-indole-2-carboxylic acid
CID 10323970
(S)-2-(2,5-Dimethyl-pyrrol-1-yl)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
CID 44336264
4-cyano-3-(2''-ethoxy-biphenyl-4-yl)-5-ethyl-1-methyl-1H-pyrrole-2-carboxylic acid
CID 44416986

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid?
The IUPAC name of 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid (CID 118709995) is 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid?
The canonical SMILES for 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid is CC(C)CC(C(=O)O)n1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccco1.
What is the InChIKey of 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid?
The InChIKey is KOJBBWFWUUZUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-18(2)16-23(26(28)29)27-22(20-12-7-4-8-13-20)17-21(19-10-5-3-6-11-19)25(27)24-14-9-15-30-24/h3-15,17-18,23H,16H2,1-2H3,(H,28,29).
What are the key properties of 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid?
2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid has a molecular weight of 399.49 g/mol, XLogP of 6.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]-4-methylpentanoic acid is sourced from PubChem (CID 118709995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).