4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid

C24H16ClFN2O3 — CID 73295766

IUPAC4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3ccccc23)c(F)c1
InChIInChI=1S/C24H16ClFN2O3/c25-18-6-3-5-15(13-8-9-13)21(18)23(29)28-20-7-2-1-4-17(20)22(27-28)16-11-10-14(24(30)31)12-19(16)26/h1-7,10-13H,8-9H2,(H,30,31)
InChIKeyCSTNVZNXJBJIAB-UHFFFAOYSA-N
MW434.85 g/mol
LogP5.76
Rot. Bonds4

About 4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid

4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid (PubChem CID 73295766) has the molecular formula C24H16ClFN2O3 and a molecular weight of 434.85 g/mol. Its IUPAC name is 4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid
PubChem CID73295766
Molecular FormulaC24H16ClFN2O3
Molecular Weight434.85 g/mol
Exact Mass434.08
IUPAC Name4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3ccccc23)c(F)c1
InChIInChI=1S/C24H16ClFN2O3/c25-18-6-3-5-15(13-8-9-13)21(18)23(29)28-20-7-2-1-4-17(20)22(27-28)16-11-10-14(24(30)31)12-19(16)26/h1-7,10-13H,8-9H2,(H,30,31)
InChIKeyCSTNVZNXJBJIAB-UHFFFAOYSA-N
XLogP5.76
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.85
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid?
The IUPAC name of 4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid (CID 73295766) is 4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid is O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3ccccc23)c(F)c1.
What is the InChIKey of 4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid?
The InChIKey is CSTNVZNXJBJIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN2O3/c25-18-6-3-5-15(13-8-9-13)21(18)23(29)28-20-7-2-1-4-17(20)22(27-28)16-11-10-14(24(30)31)12-19(16)26/h1-7,10-13H,8-9H2,(H,30,31).
What are the key properties of 4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid?
4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid has a molecular weight of 434.85 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chloro-6-cyclopropylbenzoyl)indazol-3-yl]-3-fluorobenzoic acid is sourced from PubChem (CID 73295766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).