(2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide

C25H26ClF3N4O4 — CID 155254272

About (2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide

(2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155254272) has the molecular formula C25H26ClF3N4O4 and a molecular weight of 538.95 g/mol. Its IUPAC name is (2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
• PubChem CID: 155254272
• Molecular Formula: C25H26ClF3N4O4
• Molecular Weight: 538.95 g/mol
• Exact Mass: 538.16
• IUPAC Name: (2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
• SMILES: O=C(NC1CCC(N2CCN(c3ccc(C(F)(F)F)nc3)C2=O)CC1)[C@@H]1C[C@@H](O)c2cc(Cl)ccc2O1
• InChI: InChI=1S/C25H26ClF3N4O4/c26-14-1-7-20-18(11-14)19(34)12-21(37-20)23(35)31-15-2-4-16(5-3-15)32-9-10-33(24(32)36)17-6-8-22(30-13-17)25(27,28)29/h1,6-8,11,13,15-16,19,21,34H,2-5,9-10,12H2,(H,31,35)/t15?,16?,19-,21+/m1/s1
• InChIKey: QCHNEQVGICQTQS-PPUKURFZSA-N
• XLogP: 4.31
• TPSA: 95.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.95
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?

The IUPAC name of (2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 155254272) is (2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide.

What is the SMILES notation for (2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?

The canonical SMILES for (2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NC1CCC(N2CCN(c3ccc(C(F)(F)F)nc3)C2=O)CC1)[C@@H]1C[C@@H](O)c2cc(Cl)ccc2O1.

What is the InChIKey of (2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?

The InChIKey is QCHNEQVGICQTQS-PPUKURFZSA-N. The full InChI is InChI=1S/C25H26ClF3N4O4/c26-14-1-7-20-18(11-14)19(34)12-21(37-20)23(35)31-15-2-4-16(5-3-15)32-9-10-33(24(32)36)17-6-8-22(30-13-17)25(27,28)29/h1,6-8,11,13,15-16,19,21,34H,2-5,9-10,12H2,(H,31,35)/t15?,16?,19-,21+/m1/s1.

What are the key properties of (2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?

(2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 538.95 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-6-chloro-4-hydroxy-N-[4-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155254272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).