[4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate

C24H21F2N3O5S — CID 88949289

IUPAC[4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate
SMILESCc1cc(NC(=O)n2c(C)cc3c(F)c(Oc4ccnc(COS(C)(=O)=O)c4)ccc32)ccc1F
InChIInChI=1S/C24H21F2N3O5S/c1-14-10-16(4-5-20(14)25)28-24(30)29-15(2)11-19-21(29)6-7-22(23(19)26)34-18-8-9-27-17(12-18)13-33-35(3,31)32/h4-12H,13H2,1-3H3,(H,28,30)
InChIKeyPBLRSPBRTVUCCF-UHFFFAOYSA-N
MW501.51 g/mol
LogP5.28
Rot. Bonds6

About [4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate

[4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate (PubChem CID 88949289) has the molecular formula C24H21F2N3O5S and a molecular weight of 501.51 g/mol. Its IUPAC name is [4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate.

Molecular Properties

Compound Name[4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate
PubChem CID88949289
Molecular FormulaC24H21F2N3O5S
Molecular Weight501.51 g/mol
Exact Mass501.12
IUPAC Name[4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate
SMILESCc1cc(NC(=O)n2c(C)cc3c(F)c(Oc4ccnc(COS(C)(=O)=O)c4)ccc32)ccc1F
InChIInChI=1S/C24H21F2N3O5S/c1-14-10-16(4-5-20(14)25)28-24(30)29-15(2)11-19-21(29)6-7-22(23(19)26)34-18-8-9-27-17(12-18)13-33-35(3,31)32/h4-12H,13H2,1-3H3,(H,28,30)
InChIKeyPBLRSPBRTVUCCF-UHFFFAOYSA-N
XLogP5.28
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate 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

5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid
CID 67537767
4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 89056202
5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394375
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-[4-methyl-3-(trifluoromethoxy)phenyl]urea
CID 123622116
N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide
CID 169148235
3-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluoroanilino]-3-oxopropanoic acid
CID 141149507
N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322546
4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370765
1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 163563694
N-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
CID 53130184
4-[4-[[2-(4-fluorophenyl)acetyl]carbamothioylamino]-2-methylphenoxy]pyridine-2-carboxamide
CID 87651103

Frequently Asked Questions

What is the IUPAC name of [4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate?
The IUPAC name of [4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate (CID 88949289) is [4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate.
What is the SMILES notation for [4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate?
The canonical SMILES for [4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate is Cc1cc(NC(=O)n2c(C)cc3c(F)c(Oc4ccnc(COS(C)(=O)=O)c4)ccc32)ccc1F.
What is the InChIKey of [4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate?
The InChIKey is PBLRSPBRTVUCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O5S/c1-14-10-16(4-5-20(14)25)28-24(30)29-15(2)11-19-21(29)6-7-22(23(19)26)34-18-8-9-27-17(12-18)13-33-35(3,31)32/h4-12H,13H2,1-3H3,(H,28,30).
What are the key properties of [4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate?
[4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate has a molecular weight of 501.51 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-fluoro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-2-methylindol-5-yl]oxy-2-pyridinyl]methyl methanesulfonate is sourced from PubChem (CID 88949289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).