6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid

C26H19ClFN3O5 — CID 67292294

IUPAC6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
SMILESO=C(O)C1CCOc2cc(Oc3ccc(C(=O)N(c4ccc(F)cc4)c4ccn[nH]4)cc3)c(Cl)cc21
InChIInChI=1S/C26H19ClFN3O5/c27-21-13-20-19(26(33)34)10-12-35-22(20)14-23(21)36-18-7-1-15(2-8-18)25(32)31(24-9-11-29-30-24)17-5-3-16(28)4-6-17/h1-9,11,13-14,19H,10,12H2,(H,29,30)(H,33,34)
InChIKeyYVRYZXJSWKZBBO-UHFFFAOYSA-N
MW507.91 g/mol
LogP5.92
Rot. Bonds6

About 6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid

6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid (PubChem CID 67292294) has the molecular formula C26H19ClFN3O5 and a molecular weight of 507.91 g/mol. Its IUPAC name is 6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
PubChem CID67292294
Molecular FormulaC26H19ClFN3O5
Molecular Weight507.91 g/mol
Exact Mass507.10
IUPAC Name6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
SMILESO=C(O)C1CCOc2cc(Oc3ccc(C(=O)N(c4ccc(F)cc4)c4ccn[nH]4)cc3)c(Cl)cc21
InChIInChI=1S/C26H19ClFN3O5/c27-21-13-20-19(26(33)34)10-12-35-22(20)14-23(21)36-18-7-1-15(2-8-18)25(32)31(24-9-11-29-30-24)17-5-3-16(28)4-6-17/h1-9,11,13-14,19H,10,12H2,(H,29,30)(H,33,34)
InChIKeyYVRYZXJSWKZBBO-UHFFFAOYSA-N
XLogP5.92
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.91
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-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 6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid?
The IUPAC name of 6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid (CID 67292294) is 6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid.
What is the SMILES notation for 6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid?
The canonical SMILES for 6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid is O=C(O)C1CCOc2cc(Oc3ccc(C(=O)N(c4ccc(F)cc4)c4ccn[nH]4)cc3)c(Cl)cc21.
What is the InChIKey of 6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid?
The InChIKey is YVRYZXJSWKZBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN3O5/c27-21-13-20-19(26(33)34)10-12-35-22(20)14-23(21)36-18-7-1-15(2-8-18)25(32)31(24-9-11-29-30-24)17-5-3-16(28)4-6-17/h1-9,11,13-14,19H,10,12H2,(H,29,30)(H,33,34).
What are the key properties of 6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid?
6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid has a molecular weight of 507.91 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[4-[(4-fluorophenyl)-(1H-pyrazol-5-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid is sourced from PubChem (CID 67292294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).