4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid

C19H15F2NO3 — CID 71766239

IUPAC4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4(CO)CC4)cc3)c(F)c12
InChIInChI=1S/C19H15F2NO3/c20-13-7-14-16(12(8-22-14)18(24)25)17(21)15(13)10-1-3-11(4-2-10)19(9-23)5-6-19/h1-4,7-8,22-23H,5-6,9H2,(H,24,25)
InChIKeyCZRBSHRHFKGINR-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.84
Rot. Bonds4

About 4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid

4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid (PubChem CID 71766239) has the molecular formula C19H15F2NO3 and a molecular weight of 343.33 g/mol. Its IUPAC name is 4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
PubChem CID71766239
Molecular FormulaC19H15F2NO3
Molecular Weight343.33 g/mol
Exact Mass343.10
IUPAC Name4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4(CO)CC4)cc3)c(F)c12
InChIInChI=1S/C19H15F2NO3/c20-13-7-14-16(12(8-22-14)18(24)25)17(21)15(13)10-1-3-11(4-2-10)19(9-23)5-6-19/h1-4,7-8,22-23H,5-6,9H2,(H,24,25)
InChIKeyCZRBSHRHFKGINR-UHFFFAOYSA-N
XLogP3.84
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-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

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid?
The IUPAC name of 4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid (CID 71766239) is 4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid?
The canonical SMILES for 4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4(CO)CC4)cc3)c(F)c12.
What is the InChIKey of 4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid?
The InChIKey is CZRBSHRHFKGINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3/c20-13-7-14-16(12(8-22-14)18(24)25)17(21)15(13)10-1-3-11(4-2-10)19(9-23)5-6-19/h1-4,7-8,22-23H,5-6,9H2,(H,24,25).
What are the key properties of 4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid?
4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid has a molecular weight of 343.33 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 71766239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).