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

C23H21F2N7O3 — CID 162721983

IUPACN-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c2)c1)N1CCOCC1
InChIInChI=1S/C23H21F2N7O3/c24-20(25)22-30-29-21(35-22)16-4-5-19(26-11-16)14-32-13-17(12-27-32)15-2-1-3-18(10-15)28-23(33)31-6-8-34-9-7-31/h1-5,10-13,20H,6-9,14H2,(H,28,33)
InChIKeyNRANQDLWBJEPIQ-UHFFFAOYSA-N
MW481.46 g/mol
LogP3.85
Rot. Bonds6

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

N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]phenyl]morpholine-4-carboxamide (PubChem CID 162721983) has the molecular formula C23H21F2N7O3 and a molecular weight of 481.46 g/mol. Its IUPAC name is N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]phenyl]morpholine-4-carboxamide
PubChem CID162721983
Molecular FormulaC23H21F2N7O3
Molecular Weight481.46 g/mol
Exact Mass481.17
IUPAC NameN-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c2)c1)N1CCOCC1
InChIInChI=1S/C23H21F2N7O3/c24-20(25)22-30-29-21(35-22)16-4-5-19(26-11-16)14-32-13-17(12-27-32)15-2-1-3-18(10-15)28-23(33)31-6-8-34-9-7-31/h1-5,10-13,20H,6-9,14H2,(H,28,33)
InChIKeyNRANQDLWBJEPIQ-UHFFFAOYSA-N
XLogP3.85
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644858
4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyridin-2-yl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042810
US9598423, Example A59
CID 122650872
US10464911, Example 71
CID 126507175
US10464911, Example 76
CID 126508375
US10464911, Example 67
CID 126508989
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162721909
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
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
6-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-2,3-dihydroisoindol-1-one
CID 162722369
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-pyrazol-4-yl)pyridin-2-amine
CID 162722416
N-[3-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162722425

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]phenyl]morpholine-4-carboxamide (CID 162721983) is N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]phenyl]morpholine-4-carboxamide is O=C(Nc1cccc(-c2cnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c2)c1)N1CCOCC1.
What is the InChIKey of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is NRANQDLWBJEPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O3/c24-20(25)22-30-29-21(35-22)16-4-5-19(26-11-16)14-32-13-17(12-27-32)15-2-1-3-18(10-15)28-23(33)31-6-8-34-9-7-31/h1-5,10-13,20H,6-9,14H2,(H,28,33).
What are the key properties of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]phenyl]morpholine-4-carboxamide?
N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 481.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 162721983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).