5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid

C24H19FN4O4 — CID 51000963

IUPAC5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
SMILESCc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2F)c1
InChIInChI=1S/C24H19FN4O4/c1-14-3-2-4-16(9-14)28-24(32)29-20-6-5-17(11-19(20)25)33-18-7-8-26-22(12-18)21-10-15(13-27-21)23(30)31/h2-13,27H,1H3,(H,30,31)(H2,28,29,32)
InChIKeyFPTZKIGUSULXNI-UHFFFAOYSA-N
MW446.44 g/mol
LogP5.66
Rot. Bonds6

About 5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid

5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid (PubChem CID 51000963) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is 5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
PubChem CID51000963
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC Name5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
SMILESCc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2F)c1
InChIInChI=1S/C24H19FN4O4/c1-14-3-2-4-16(9-14)28-24(32)29-20-6-5-17(11-19(20)25)33-18-7-8-26-22(12-18)21-10-15(13-27-21)23(30)31/h2-13,27H,1H3,(H,30,31)(H2,28,29,32)
InChIKeyFPTZKIGUSULXNI-UHFFFAOYSA-N
XLogP5.66
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.44
LogP ≤ 55.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 14925426
CID 14925426
CID 50915113
CID 50915113
CID 51000803
CID 51000803
CID 51000881
CID 51000881
CID 51000882
CID 51000882
CID 51000883
CID 51000883
CID 51000884
CID 51000884
CID 51000885
CID 51000885
CID 51000959
CID 51000959
CID 51000960
CID 51000960
CID 51000961
CID 51000961
CID 51000962
CID 51000962

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid (CID 51000963) is 5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid is Cc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2F)c1.
What is the InChIKey of 5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid?
The InChIKey is FPTZKIGUSULXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4/c1-14-3-2-4-16(9-14)28-24(32)29-20-6-5-17(11-19(20)25)33-18-7-8-26-22(12-18)21-10-15(13-27-21)23(30)31/h2-13,27H,1H3,(H,30,31)(H2,28,29,32).
What are the key properties of 5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid?
5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid has a molecular weight of 446.44 g/mol, XLogP of 5.66, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 51000963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).