(2S,4S)-6-chloro-4-hydroxy-N-[3-[4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

C24H20ClF3N4O3 — CID 155254467

About (2S,4S)-6-chloro-4-hydroxy-N-[3-[4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

(2S,4S)-6-chloro-4-hydroxy-N-[3-[4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155254467) has the molecular formula C24H20ClF3N4O3 and a molecular weight of 504.90 g/mol. Its IUPAC name is (2S,4S)-6-chloro-4-hydroxy-N-[3-[4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4S)-6-chloro-4-hydroxy-N-[3-[4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
• PubChem CID: 155254467
• Molecular Formula: C24H20ClF3N4O3
• Molecular Weight: 504.90 g/mol
• Exact Mass: 504.12
• IUPAC Name: (2S,4S)-6-chloro-4-hydroxy-N-[3-[4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
• SMILES: O=C(NC12CC(n3cnc(-c4ccc(C(F)(F)F)nc4)c3)(C1)C2)[C@@H]1C[C@H](O)c2cc(Cl)ccc2O1
• InChI: InChI=1S/C24H20ClF3N4O3/c25-14-2-3-18-15(5-14)17(33)6-19(35-18)21(34)31-22-9-23(10-22,11-22)32-8-16(30-12-32)13-1-4-20(29-7-13)24(26,27)28/h1-5,7-8,12,17,19,33H,6,9-11H2,(H,31,34)/t17-,19-,22?,23?/m0/s1
• InChIKey: CKUOWRVVRHXBOK-YILSLVNCSA-N
• XLogP: 4.25
• TPSA: 89.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.90
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-6-chloro-4-hydroxy-N-[3-[4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?

The IUPAC name of (2S,4S)-6-chloro-4-hydroxy-N-[3-[4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 155254467) is (2S,4S)-6-chloro-4-hydroxy-N-[3-[4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide.

What is the SMILES notation for (2S,4S)-6-chloro-4-hydroxy-N-[3-[4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?

The canonical SMILES for (2S,4S)-6-chloro-4-hydroxy-N-[3-[4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NC12CC(n3cnc(-c4ccc(C(F)(F)F)nc4)c3)(C1)C2)[C@@H]1C[C@H](O)c2cc(Cl)ccc2O1.

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

The InChIKey is CKUOWRVVRHXBOK-YILSLVNCSA-N. The full InChI is InChI=1S/C24H20ClF3N4O3/c25-14-2-3-18-15(5-14)17(33)6-19(35-18)21(34)31-22-9-23(10-22,11-22)32-8-16(30-12-32)13-1-4-20(29-7-13)24(26,27)28/h1-5,7-8,12,17,19,33H,6,9-11H2,(H,31,34)/t17-,19-,22?,23?/m0/s1.

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

(2S,4S)-6-chloro-4-hydroxy-N-[3-[4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 504.90 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S)-6-chloro-4-hydroxy-N-[3-[4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155254467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).