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

C17H12Cl2F5N5O2 — CID 162520762

IUPAC(4S)-N-[(S)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](c2cnc(C(F)(F)F)c(Cl)c2)c2ccc(Cl)c(C(F)F)n2)N1
InChIInChI=1S/C17H12Cl2F5N5O2/c18-7-1-2-9(27-12(7)14(20)21)11(29-15(30)10-5-26-16(31)28-10)6-3-8(19)13(25-4-6)17(22,23)24/h1-4,10-11,14H,5H2,(H,29,30)(H2,26,28,31)/t10-,11-/m0/s1
InChIKeyHTNVQQVGOLYPHY-QWRGUYRKSA-N
MW484.21 g/mol
LogP3.63
Rot. Bonds5

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

(4S)-N-[(S)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520762) has the molecular formula C17H12Cl2F5N5O2 and a molecular weight of 484.21 g/mol. Its IUPAC name is (4S)-N-[(S)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(S)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520762
Molecular FormulaC17H12Cl2F5N5O2
Molecular Weight484.21 g/mol
Exact Mass483.03
IUPAC Name(4S)-N-[(S)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](c2cnc(C(F)(F)F)c(Cl)c2)c2ccc(Cl)c(C(F)F)n2)N1
InChIInChI=1S/C17H12Cl2F5N5O2/c18-7-1-2-9(27-12(7)14(20)21)11(29-15(30)10-5-26-16(31)28-10)6-3-8(19)13(25-4-6)17(22,23)24/h1-4,10-11,14H,5H2,(H,29,30)(H2,26,28,31)/t10-,11-/m0/s1
InChIKeyHTNVQQVGOLYPHY-QWRGUYRKSA-N
XLogP3.63
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.21
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(S)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(S)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520762) is (4S)-N-[(S)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(S)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(S)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)N[C@@H](c2cnc(C(F)(F)F)c(Cl)c2)c2ccc(Cl)c(C(F)F)n2)N1.
What is the InChIKey of (4S)-N-[(S)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is HTNVQQVGOLYPHY-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H12Cl2F5N5O2/c18-7-1-2-9(27-12(7)14(20)21)11(29-15(30)10-5-26-16(31)28-10)6-3-8(19)13(25-4-6)17(22,23)24/h1-4,10-11,14H,5H2,(H,29,30)(H2,26,28,31)/t10-,11-/m0/s1.
What are the key properties of (4S)-N-[(S)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(S)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 484.21 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(S)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).