N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide

C22H20ClF3N6O2 — CID 118032665

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide
SMILESCCN(C(=O)CC1CN(Cc2ccc(C(F)(F)F)nc2)C1=O)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C22H20ClF3N6O2/c1-2-31(17-13-32(29-20(17)23)16-4-3-7-27-10-16)19(33)8-15-12-30(21(15)34)11-14-5-6-18(28-9-14)22(24,25)26/h3-7,9-10,13,15H,2,8,11-12H2,1H3
InChIKeyXBJRXXVATVCVFR-UHFFFAOYSA-N
MW492.89 g/mol
LogP3.74
Rot. Bonds7

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide (PubChem CID 118032665) has the molecular formula C22H20ClF3N6O2 and a molecular weight of 492.89 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide
PubChem CID118032665
Molecular FormulaC22H20ClF3N6O2
Molecular Weight492.89 g/mol
Exact Mass492.13
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide
SMILESCCN(C(=O)CC1CN(Cc2ccc(C(F)(F)F)nc2)C1=O)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C22H20ClF3N6O2/c1-2-31(17-13-32(29-20(17)23)16-4-3-7-27-10-16)19(33)8-15-12-30(21(15)34)11-14-5-6-18(28-9-14)22(24,25)26/h3-7,9-10,13,15H,2,8,11-12H2,1H3
InChIKeyXBJRXXVATVCVFR-UHFFFAOYSA-N
XLogP3.74
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.89
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]acetamide
CID 118032664
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[1-(2-cyanoethyl)-2-oxopyrrolidin-3-yl]-N-ethylacetamide
CID 118032699
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide
CID 118023439
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethoxyimino)pentanamide
CID 123192126
(4E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethoxyimino)pentanamide
CID 118032679
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-7,7,7-trifluoro-3-oxoheptanamide
CID 118023098
N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide
CID 118022786
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide
CID 118032698
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2-oxopyrrolidin-1-yl)propanamide
CID 118023676
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide
CID 123277810
N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluorobutanamide
CID 118023947
cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide
CID 118032719

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide (CID 118032665) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide is CCN(C(=O)CC1CN(Cc2ccc(C(F)(F)F)nc2)C1=O)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide?
The InChIKey is XBJRXXVATVCVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N6O2/c1-2-31(17-13-32(29-20(17)23)16-4-3-7-27-10-16)19(33)8-15-12-30(21(15)34)11-14-5-6-18(28-9-14)22(24,25)26/h3-7,9-10,13,15H,2,8,11-12H2,1H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide has a molecular weight of 492.89 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 118032665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).