2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid

C24H21FN4O3 — CID 130422473

IUPAC2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid
SMILESCc1c(C2CC(NC(=O)c3ccc4cccnc4n3)C2)c2cc(F)ccc2n1CC(=O)O
InChIInChI=1S/C24H21FN4O3/c1-13-22(18-11-16(25)5-7-20(18)29(13)12-21(30)31)15-9-17(10-15)27-24(32)19-6-4-14-3-2-8-26-23(14)28-19/h2-8,11,15,17H,9-10,12H2,1H3,(H,27,32)(H,30,31)
InChIKeyHNQGAPAJIFAAMT-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.79
Rot. Bonds5

About 2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid

2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid (PubChem CID 130422473) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid
PubChem CID130422473
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid
SMILESCc1c(C2CC(NC(=O)c3ccc4cccnc4n3)C2)c2cc(F)ccc2n1CC(=O)O
InChIInChI=1S/C24H21FN4O3/c1-13-22(18-11-16(25)5-7-20(18)29(13)12-21(30)31)15-9-17(10-15)27-24(32)19-6-4-14-3-2-8-26-23(14)28-19/h2-8,11,15,17H,9-10,12H2,1H3,(H,27,32)(H,30,31)
InChIKeyHNQGAPAJIFAAMT-UHFFFAOYSA-N
XLogP3.79
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic 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 117918742
CID 117918742
CID 453391
CID 453391
CID 6539896
CID 6539896
CID 57381882
CID 57381882
CID 71667102
CID 71667102
CID 71667249
CID 71667249
CID 453218
CID 453218
CID 10600770
CID 10600770
CID 23120512
CID 23120512
CID 23120572
CID 23120572
CID 46942855
CID 46942855
CID 56675580
CID 56675580

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid (CID 130422473) is 2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid is Cc1c(C2CC(NC(=O)c3ccc4cccnc4n3)C2)c2cc(F)ccc2n1CC(=O)O.
What is the InChIKey of 2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid?
The InChIKey is HNQGAPAJIFAAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-13-22(18-11-16(25)5-7-20(18)29(13)12-21(30)31)15-9-17(10-15)27-24(32)19-6-4-14-3-2-8-26-23(14)28-19/h2-8,11,15,17H,9-10,12H2,1H3,(H,27,32)(H,30,31).
What are the key properties of 2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid?
2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid has a molecular weight of 432.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetic acid is sourced from PubChem (CID 130422473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).