(2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

C22H23ClF3N3O5 — CID 163279480

About (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

(2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 163279480) has the molecular formula C22H23ClF3N3O5 and a molecular weight of 501.89 g/mol. Its IUPAC name is (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

• Compound Name: (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
• PubChem CID: 163279480
• Molecular Formula: C22H23ClF3N3O5
• Molecular Weight: 501.89 g/mol
• Exact Mass: 501.13
• IUPAC Name: (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
• SMILES: C[C@H](COC(F)(F)F)Oc1cnn(C23CC(NC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)c1
• InChI: InChI=1S/C22H23ClF3N3O5/c1-12(8-32-22(24,25)26)33-14-6-27-29(7-14)21-9-20(10-21,11-21)28-19(31)18-5-16(30)15-4-13(23)2-3-17(15)34-18/h2-4,6-7,12,16,18,30H,5,8-11H2,1H3,(H,28,31)/t12-,16-,18-,20?,21?/m1/s1
• InChIKey: MCTIQYFSALVIFM-BHCJIJRNSA-N
• XLogP: 3.47
• TPSA: 94.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.89
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?

The IUPAC name of (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 163279480) is (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide.

What is the SMILES notation for (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?

The canonical SMILES for (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is C[C@H](COC(F)(F)F)Oc1cnn(C23CC(NC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)c1.

What is the InChIKey of (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?

The InChIKey is MCTIQYFSALVIFM-BHCJIJRNSA-N. The full InChI is InChI=1S/C22H23ClF3N3O5/c1-12(8-32-22(24,25)26)33-14-6-27-29(7-14)21-9-20(10-21,11-21)28-19(31)18-5-16(30)15-4-13(23)2-3-17(15)34-18/h2-4,6-7,12,16,18,30H,5,8-11H2,1H3,(H,28,31)/t12-,16-,18-,20?,21?/m1/s1.

What are the key properties of (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?

(2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 501.89 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 163279480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).