(4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide

C17H12F7N5O3 — CID 162520807

IUPAC(4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](c2ccc(OC(F)(F)F)nc2)c2ccc(F)c(C(F)(F)F)n2)N1
InChIInChI=1S/C17H12F7N5O3/c18-8-2-3-9(27-13(8)16(19,20)21)12(29-14(30)10-6-26-15(31)28-10)7-1-4-11(25-5-7)32-17(22,23)24/h1-5,10,12H,6H2,(H,29,30)(H2,26,28,31)/t10-,12-/m0/s1
InChIKeyMPDFTPLSOFJOIC-JQWIXIFHSA-N
MW467.30 g/mol
LogP2.42
Rot. Bonds5

About (4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520807) has the molecular formula C17H12F7N5O3 and a molecular weight of 467.30 g/mol. Its IUPAC name is (4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520807
Molecular FormulaC17H12F7N5O3
Molecular Weight467.30 g/mol
Exact Mass467.08
IUPAC Name(4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](c2ccc(OC(F)(F)F)nc2)c2ccc(F)c(C(F)(F)F)n2)N1
InChIInChI=1S/C17H12F7N5O3/c18-8-2-3-9(27-13(8)16(19,20)21)12(29-14(30)10-6-26-15(31)28-10)7-1-4-11(25-5-7)32-17(22,23)24/h1-5,10,12H,6H2,(H,29,30)(H2,26,28,31)/t10-,12-/m0/s1
InChIKeyMPDFTPLSOFJOIC-JQWIXIFHSA-N
XLogP2.42
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.30
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520807) is (4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)N[C@@H](c2ccc(OC(F)(F)F)nc2)c2ccc(F)c(C(F)(F)F)n2)N1.
What is the InChIKey of (4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is MPDFTPLSOFJOIC-JQWIXIFHSA-N. The full InChI is InChI=1S/C17H12F7N5O3/c18-8-2-3-9(27-13(8)16(19,20)21)12(29-14(30)10-6-26-15(31)28-10)7-1-4-11(25-5-7)32-17(22,23)24/h1-5,10,12H,6H2,(H,29,30)(H2,26,28,31)/t10-,12-/m0/s1.
What are the key properties of (4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 467.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(S)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).