N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide

C24H27F3N6O2 — CID 54754847

IUPACN-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
SMILESO=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3cccnc3)CC2)C1
InChIInChI=1S/C24H27F3N6O2/c25-24(26,27)15-3-4-20-19(10-15)22(32-31-20)29-12-21(34)30-17-13-33(14-17)18-5-7-23(35,8-6-18)16-2-1-9-28-11-16/h1-4,9-11,17-18,35H,5-8,12-14H2,(H,30,34)(H2,29,31,32)
InChIKeyZGNUTAZGEDXZFS-UHFFFAOYSA-N
MW488.51 g/mol
LogP3.02
Rot. Bonds6

About N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide

N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide (PubChem CID 54754847) has the molecular formula C24H27F3N6O2 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
PubChem CID54754847
Molecular FormulaC24H27F3N6O2
Molecular Weight488.51 g/mol
Exact Mass488.21
IUPAC NameN-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
SMILESO=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3cccnc3)CC2)C1
InChIInChI=1S/C24H27F3N6O2/c25-24(26,27)15-3-4-20-19(10-15)22(32-31-20)29-12-21(34)30-17-13-33(14-17)18-5-7-23(35,8-6-18)16-2-1-9-28-11-16/h1-4,9-11,17-18,35H,5-8,12-14H2,(H,30,34)(H2,29,31,32)
InChIKeyZGNUTAZGEDXZFS-UHFFFAOYSA-N
XLogP3.02
TPSA106.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide 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-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The IUPAC name of N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide (CID 54754847) is N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide.
What is the SMILES notation for N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The canonical SMILES for N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide is O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3cccnc3)CC2)C1.
What is the InChIKey of N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The InChIKey is ZGNUTAZGEDXZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O2/c25-24(26,27)15-3-4-20-19(10-15)22(32-31-20)29-12-21(34)30-17-13-33(14-17)18-5-7-23(35,8-6-18)16-2-1-9-28-11-16/h1-4,9-11,17-18,35H,5-8,12-14H2,(H,30,34)(H2,29,31,32).
What are the key properties of N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide has a molecular weight of 488.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide is sourced from PubChem (CID 54754847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).