N-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide

C23H17ClF3N5O — CID 155167233

IUPACN-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)cc(C2(C#N)CC2)c1)c1nccnc1-c1ccc(Cl)cn1
InChIInChI=1S/C23H17ClF3N5O/c1-13(19-20(30-7-6-29-19)18-3-2-17(24)11-31-18)32-21(33)14-8-15(22(12-28)4-5-22)10-16(9-14)23(25,26)27/h2-3,6-11,13H,4-5H2,1H3,(H,32,33)
InChIKeyARGVFLXTYDMTHD-UHFFFAOYSA-N
MW471.87 g/mol
LogP5.26
Rot. Bonds5

About N-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide

N-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide (PubChem CID 155167233) has the molecular formula C23H17ClF3N5O and a molecular weight of 471.87 g/mol. Its IUPAC name is N-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide
PubChem CID155167233
Molecular FormulaC23H17ClF3N5O
Molecular Weight471.87 g/mol
Exact Mass471.11
IUPAC NameN-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)cc(C2(C#N)CC2)c1)c1nccnc1-c1ccc(Cl)cn1
InChIInChI=1S/C23H17ClF3N5O/c1-13(19-20(30-7-6-29-19)18-3-2-17(24)11-31-18)32-21(33)14-8-15(22(12-28)4-5-22)10-16(9-14)23(25,26)27/h2-3,6-11,13H,4-5H2,1H3,(H,32,33)
InChIKeyARGVFLXTYDMTHD-UHFFFAOYSA-N
XLogP5.26
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.87
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide (CID 155167233) is N-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide is CC(NC(=O)c1cc(C(F)(F)F)cc(C2(C#N)CC2)c1)c1nccnc1-c1ccc(Cl)cn1.
What is the InChIKey of N-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide?
The InChIKey is ARGVFLXTYDMTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N5O/c1-13(19-20(30-7-6-29-19)18-3-2-17(24)11-31-18)32-21(33)14-8-15(22(12-28)4-5-22)10-16(9-14)23(25,26)27/h2-3,6-11,13H,4-5H2,1H3,(H,32,33).
What are the key properties of N-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide?
N-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide has a molecular weight of 471.87 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 155167233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).