(2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

C24H20ClF3N4O4 — CID 155254334

About (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

(2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155254334) has the molecular formula C24H20ClF3N4O4 and a molecular weight of 520.90 g/mol. Its IUPAC name is (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-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-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
• PubChem CID: 155254334
• Molecular Formula: C24H20ClF3N4O4
• Molecular Weight: 520.90 g/mol
• Exact Mass: 520.11
• IUPAC Name: (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
• SMILES: O=C(NC12CC(n3cc(-c4ccc(OC(F)(F)F)cn4)cn3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1
• InChI: InChI=1S/C24H20ClF3N4O4/c25-14-1-4-19-16(5-14)18(33)6-20(35-19)21(34)31-22-10-23(11-22,12-22)32-9-13(7-30-32)17-3-2-15(8-29-17)36-24(26,27)28/h1-5,7-9,18,20,33H,6,10-12H2,(H,31,34)/t18-,20-,22?,23?/m1/s1
• InChIKey: WLJVBMRKTUGMDD-ZEABBNLPSA-N
• XLogP: 4.13
• TPSA: 98.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.90
LogP ≤ 5	4.13
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-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-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-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 155254334) is (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-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-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-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-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NC12CC(n3cc(-c4ccc(OC(F)(F)F)cn4)cn3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1.

What is the InChIKey of (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?

The InChIKey is WLJVBMRKTUGMDD-ZEABBNLPSA-N. The full InChI is InChI=1S/C24H20ClF3N4O4/c25-14-1-4-19-16(5-14)18(33)6-20(35-19)21(34)31-22-10-23(11-22,12-22)32-9-13(7-30-32)17-3-2-15(8-29-17)36-24(26,27)28/h1-5,7-9,18,20,33H,6,10-12H2,(H,31,34)/t18-,20-,22?,23?/m1/s1.

What are the key properties of (2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?

(2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 520.90 g/mol, XLogP of 4.13, 5 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-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155254334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).