3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide

C24H27F3N4O4 — CID 46241942

IUPAC3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cc(F)c(F)c(F)c4)C3)CC2)cn1
InChIInChI=1S/C24H27F3N4O4/c1-35-21-3-2-15(10-28-21)24(34)6-4-17(5-7-24)31-12-16(13-31)30-20(32)11-29-23(33)14-8-18(25)22(27)19(26)9-14/h2-3,8-10,16-17,34H,4-7,11-13H2,1H3,(H,29,33)(H,30,32)
InChIKeyDGOWUOWXZUVMTI-UHFFFAOYSA-N
MW492.50 g/mol
LogP1.87
Rot. Bonds7

About 3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide

3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide (PubChem CID 46241942) has the molecular formula C24H27F3N4O4 and a molecular weight of 492.50 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide
PubChem CID46241942
Molecular FormulaC24H27F3N4O4
Molecular Weight492.50 g/mol
Exact Mass492.20
IUPAC Name3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cc(F)c(F)c(F)c4)C3)CC2)cn1
InChIInChI=1S/C24H27F3N4O4/c1-35-21-3-2-15(10-28-21)24(34)6-4-17(5-7-24)31-12-16(13-31)30-20(32)11-29-23(33)14-8-18(25)22(27)19(26)9-14/h2-3,8-10,16-17,34H,4-7,11-13H2,1H3,(H,29,33)(H,30,32)
InChIKeyDGOWUOWXZUVMTI-UHFFFAOYSA-N
XLogP1.87
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide 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 3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide (CID 46241942) is 3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide is COc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cc(F)c(F)c(F)c4)C3)CC2)cn1.
What is the InChIKey of 3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is DGOWUOWXZUVMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O4/c1-35-21-3-2-15(10-28-21)24(34)6-4-17(5-7-24)31-12-16(13-31)30-20(32)11-29-23(33)14-8-18(25)22(27)19(26)9-14/h2-3,8-10,16-17,34H,4-7,11-13H2,1H3,(H,29,33)(H,30,32).
What are the key properties of 3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide?
3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 492.50 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46241942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).