N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide

C22H19F3N8O3 — CID 162722264

IUPACN-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cn(Cc3ncc(-c4nnc(C(F)F)o4)cc3F)nn2)c1)N1CCOCC1
InChIInChI=1S/C22H19F3N8O3/c23-16-9-14(20-29-30-21(36-20)19(24)25)10-26-18(16)12-33-11-17(28-31-33)13-2-1-3-15(8-13)27-22(34)32-4-6-35-7-5-32/h1-3,8-11,19H,4-7,12H2,(H,27,34)
InChIKeyHSNZELSNEULHCL-UHFFFAOYSA-N
MW500.44 g/mol
LogP3.38
Rot. Bonds6

About N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide

N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide (PubChem CID 162722264) has the molecular formula C22H19F3N8O3 and a molecular weight of 500.44 g/mol. Its IUPAC name is N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
PubChem CID162722264
Molecular FormulaC22H19F3N8O3
Molecular Weight500.44 g/mol
Exact Mass500.15
IUPAC NameN-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cn(Cc3ncc(-c4nnc(C(F)F)o4)cc3F)nn2)c1)N1CCOCC1
InChIInChI=1S/C22H19F3N8O3/c23-16-9-14(20-29-30-21(36-20)19(24)25)10-26-18(16)12-33-11-17(28-31-33)13-2-1-3-15(8-13)27-22(34)32-4-6-35-7-5-32/h1-3,8-11,19H,4-7,12H2,(H,27,34)
InChIKeyHSNZELSNEULHCL-UHFFFAOYSA-N
XLogP3.38
TPSA124.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide with MolForge

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Related Compounds

US10464911, Example 71
CID 126507175
US10464911, Example 76
CID 126508375
US10464911, Example 67
CID 126508989
5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721876
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162721909
7-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 162721915
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162721934
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721935
7'-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)-1',4'-dihydro-3'H-spiro[piperidine-4,2'-quinoxalin]-3'-one
CID 162721955
N-(3-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-pyrazol-4-yl)phenyl)morpholine-4-carboxamide
CID 162721983
6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine
CID 162722000
N-(3-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)phenyl)morpholine-4-carboxamide
CID 162722023

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide (CID 162722264) is N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide is O=C(Nc1cccc(-c2cn(Cc3ncc(-c4nnc(C(F)F)o4)cc3F)nn2)c1)N1CCOCC1.
What is the InChIKey of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is HSNZELSNEULHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N8O3/c23-16-9-14(20-29-30-21(36-20)19(24)25)10-26-18(16)12-33-11-17(28-31-33)13-2-1-3-15(8-13)27-22(34)32-4-6-35-7-5-32/h1-3,8-11,19H,4-7,12H2,(H,27,34).
What are the key properties of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide?
N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 500.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 162722264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).