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

C24H24ClF3N6O2 — CID 118023346

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide
SMILESCCN(C(=O)CCCC1CN(Cc2ccc(C(F)(F)F)nc2)C1=O)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C24H24ClF3N6O2/c1-2-33(19-15-34(31-22(19)25)18-6-4-10-29-12-18)21(35)7-3-5-17-14-32(23(17)36)13-16-8-9-20(30-11-16)24(26,27)28/h4,6,8-12,15,17H,2-3,5,7,13-14H2,1H3
InChIKeyNAWKSXIZJTYHTN-UHFFFAOYSA-N
MW520.94 g/mol
LogP4.52
Rot. Bonds9

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

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide (PubChem CID 118023346) has the molecular formula C24H24ClF3N6O2 and a molecular weight of 520.94 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide
PubChem CID118023346
Molecular FormulaC24H24ClF3N6O2
Molecular Weight520.94 g/mol
Exact Mass520.16
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide
SMILESCCN(C(=O)CCCC1CN(Cc2ccc(C(F)(F)F)nc2)C1=O)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C24H24ClF3N6O2/c1-2-33(19-15-34(31-22(19)25)18-6-4-10-29-12-18)21(35)7-3-5-17-14-32(23(17)36)13-16-8-9-20(30-11-16)24(26,27)28/h4,6,8-12,15,17H,2-3,5,7,13-14H2,1H3
InChIKeyNAWKSXIZJTYHTN-UHFFFAOYSA-N
XLogP4.52
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.94
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide (CID 118023346) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide is CCN(C(=O)CCCC1CN(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-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide?
The InChIKey is NAWKSXIZJTYHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N6O2/c1-2-33(19-15-34(31-22(19)25)18-6-4-10-29-12-18)21(35)7-3-5-17-14-32(23(17)36)13-16-8-9-20(30-11-16)24(26,27)28/h4,6,8-12,15,17H,2-3,5,7,13-14H2,1H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide has a molecular weight of 520.94 g/mol, XLogP of 4.52, 9 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-4-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]butanamide is sourced from PubChem (CID 118023346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).