N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

C23H32F3N5O2 — CID 54754723

IUPACN-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
SMILESCCOCC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C23H32F3N5O2/c1-3-33-14-15-4-7-18(8-5-15)31-12-17(13-31)28-21(32)11-27-22-19-10-16(23(24,25)26)6-9-20(19)30(2)29-22/h6,9-10,15,17-18H,3-5,7-8,11-14H2,1-2H3,(H,27,29)(H,28,32)
InChIKeyNLACPXOSKRJIGO-UHFFFAOYSA-N
MW467.54 g/mol
LogP3.40
Rot. Bonds8

About N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (PubChem CID 54754723) has the molecular formula C23H32F3N5O2 and a molecular weight of 467.54 g/mol. Its IUPAC name is N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
PubChem CID54754723
Molecular FormulaC23H32F3N5O2
Molecular Weight467.54 g/mol
Exact Mass467.25
IUPAC NameN-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
SMILESCCOCC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C23H32F3N5O2/c1-3-33-14-15-4-7-18(8-5-15)31-12-17(13-31)28-21(32)11-27-22-19-10-16(23(24,25)26)6-9-20(19)30(2)29-22/h6,9-10,15,17-18H,3-5,7-8,11-14H2,1-2H3,(H,27,29)(H,28,32)
InChIKeyNLACPXOSKRJIGO-UHFFFAOYSA-N
XLogP3.40
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The IUPAC name of N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (CID 54754723) is N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.
What is the SMILES notation for N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The canonical SMILES for N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is CCOCC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1.
What is the InChIKey of N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The InChIKey is NLACPXOSKRJIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F3N5O2/c1-3-33-14-15-4-7-18(8-5-15)31-12-17(13-31)28-21(32)11-27-22-19-10-16(23(24,25)26)6-9-20(19)30(2)29-22/h6,9-10,15,17-18H,3-5,7-8,11-14H2,1-2H3,(H,27,29)(H,28,32).
What are the key properties of N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide has a molecular weight of 467.54 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is sourced from PubChem (CID 54754723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).