(2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C24H20ClF4N3O4 — CID 155263231

IUPAC(2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESC=C(CCn1cc(-c2ccc(OC(F)(F)F)c(F)c2)cn1)NC(=O)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C24H20ClF4N3O4/c1-13(31-23(34)22-10-19(33)17-9-16(25)3-5-20(17)35-22)6-7-32-12-15(11-30-32)14-2-4-21(18(26)8-14)36-24(27,28)29/h2-5,8-9,11-12,19,22,33H,1,6-7,10H2,(H,31,34)/t19-,22-/m1/s1
InChIKeyJMWUIIPPUKRGBQ-DENIHFKCSA-N
MW525.89 g/mol
LogP5.15
Rot. Bonds7

About (2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

(2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155263231) has the molecular formula C24H20ClF4N3O4 and a molecular weight of 525.89 g/mol. Its IUPAC name is (2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID155263231
Molecular FormulaC24H20ClF4N3O4
Molecular Weight525.89 g/mol
Exact Mass525.11
IUPAC Name(2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESC=C(CCn1cc(-c2ccc(OC(F)(F)F)c(F)c2)cn1)NC(=O)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C24H20ClF4N3O4/c1-13(31-23(34)22-10-19(33)17-9-16(25)3-5-20(17)35-22)6-7-32-12-15(11-30-32)14-2-4-21(18(26)8-14)36-24(27,28)29/h2-5,8-9,11-12,19,22,33H,1,6-7,10H2,(H,31,34)/t19-,22-/m1/s1
InChIKeyJMWUIIPPUKRGBQ-DENIHFKCSA-N
XLogP5.15
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.89
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide 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 (2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 155263231) is (2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is C=C(CCn1cc(-c2ccc(OC(F)(F)F)c(F)c2)cn1)NC(=O)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1.
What is the InChIKey of (2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is JMWUIIPPUKRGBQ-DENIHFKCSA-N. The full InChI is InChI=1S/C24H20ClF4N3O4/c1-13(31-23(34)22-10-19(33)17-9-16(25)3-5-20(17)35-22)6-7-32-12-15(11-30-32)14-2-4-21(18(26)8-14)36-24(27,28)29/h2-5,8-9,11-12,19,22,33H,1,6-7,10H2,(H,31,34)/t19-,22-/m1/s1.
What are the key properties of (2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
(2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 525.89 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6-chloro-N-[4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155263231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).