2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide

C20H17F8N5O2 — CID 90321801

IUPAC2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC[C@H](F)[C@H]1CN(c2ncc(C(F)(F)F)cc2F)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C20H17F8N5O2/c1-2-12(21)14-8-33(17-13(22)5-11(7-30-17)20(26,27)28)18(35)32(14)9-16(34)31-15-6-10(3-4-29-15)19(23,24)25/h3-7,12,14H,2,8-9H2,1H3,(H,29,31,34)/t12-,14+/m0/s1
InChIKeyWSMQCHKBGYUDKA-GXTWGEPZSA-N
MW511.37 g/mol
LogP4.65
Rot. Bonds6

About 2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide

2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 90321801) has the molecular formula C20H17F8N5O2 and a molecular weight of 511.37 g/mol. Its IUPAC name is 2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID90321801
Molecular FormulaC20H17F8N5O2
Molecular Weight511.37 g/mol
Exact Mass511.13
IUPAC Name2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC[C@H](F)[C@H]1CN(c2ncc(C(F)(F)F)cc2F)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C20H17F8N5O2/c1-2-12(21)14-8-33(17-13(22)5-11(7-30-17)20(26,27)28)18(35)32(14)9-16(34)31-15-6-10(3-4-29-15)19(23,24)25/h3-7,12,14H,2,8-9H2,1H3,(H,29,31,34)/t12-,14+/m0/s1
InChIKeyWSMQCHKBGYUDKA-GXTWGEPZSA-N
XLogP4.65
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.37
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 90321801) is 2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is CC[C@H](F)[C@H]1CN(c2ncc(C(F)(F)F)cc2F)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is WSMQCHKBGYUDKA-GXTWGEPZSA-N. The full InChI is InChI=1S/C20H17F8N5O2/c1-2-12(21)14-8-33(17-13(22)5-11(7-30-17)20(26,27)28)18(35)32(14)9-16(34)31-15-6-10(3-4-29-15)19(23,24)25/h3-7,12,14H,2,8-9H2,1H3,(H,29,31,34)/t12-,14+/m0/s1.
What are the key properties of 2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 511.37 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 90321801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).