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

C22H30F3N5O2 — CID 54754725

IUPACN-[1-(4-ethoxycyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
SMILESCCOC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C22H30F3N5O2/c1-3-32-17-7-5-16(6-8-17)30-12-15(13-30)27-20(31)11-26-21-18-10-14(22(23,24)25)4-9-19(18)29(2)28-21/h4,9-10,15-17H,3,5-8,11-13H2,1-2H3,(H,26,28)(H,27,31)
InChIKeyOCUZPPWOGZGESC-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.15
Rot. Bonds7

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

N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (PubChem CID 54754725) has the molecular formula C22H30F3N5O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-ethoxycyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
PubChem CID54754725
Molecular FormulaC22H30F3N5O2
Molecular Weight453.51 g/mol
Exact Mass453.24
IUPAC NameN-[1-(4-ethoxycyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
SMILESCCOC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C22H30F3N5O2/c1-3-32-17-7-5-16(6-8-17)30-12-15(13-30)27-20(31)11-26-21-18-10-14(22(23,24)25)4-9-19(18)29(2)28-21/h4,9-10,15-17H,3,5-8,11-13H2,1-2H3,(H,26,28)(H,27,31)
InChIKeyOCUZPPWOGZGESC-UHFFFAOYSA-N
XLogP3.15
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-Hydroxymethyl-cyclohexyl)-azetidin-3-yl]-2-(1-methyl-5-trifluoromethyl-1H-indazol-3-ylamino)-acetamide
CID 54754722
N-[1-(4-Ethoxymethyl-cyclohexyl)-azetidin-3-yl]-2-(1-methyl-5-trifluoromethyl-1H-indazol-3-ylamino)-acetamide
CID 54754723
N-[1-(4-Allyloxymethyl-cyclohexyl)-azetidin-3-yl]-2-(1-methyl-5-trifluoromethyl-1H-indazol-3-ylamino)-acetamide
CID 54754724
N-[1-(4-cyanocyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
CID 54754844
4-{3-[2-(1-Methyl-5-trifluoromethyl-1H-indazol-3-ylamino)-acetylamino]-azetidin-1-yl}-cyclohexane carboxylic acid amide
CID 54754845
4-{3-[2-(5-Trifluoromethyl-1H-indazol-3-ylamino)-acetylamino]-azetidin-1-yl}-cyclohexane carboxylic acid ethyl ester
CID 54755081
N-{1-[4-(2-Oxo-2H-pyridin-1-yl)-cyclohexyl]-azetidin-3-yl}-2-(5-trifluoromethyl-1H-indazol-3-ylamino)-acetamide
CID 54755083
N-[1-(4-Isopropyl-cyclohexyl)-azetidin-3-yl]-2-(5-trifluoromethyl-1H-indazol-3-ylamino)-acet amide
CID 54755193
4-{3-[2-(1-Ethyl-5-trifluoromethyl-1H-indazol-3-ylamino)-acetylamino]-azetidin-1-yl}-cyclohexanecarboxylic acid ethyl ester
CID 54755560
4-(3-{2-[1-(2,2,2-Trifluoro-ethyl)-5-trifluoromethyl-1H-indazol-3-ylamino]-acetylamino}-azetidin-1-yl)-cyclohexanecarboxylic acid ethyl ester
CID 54755562
4-{3-[2-(1-Carbamoyl-5-trifluoromethyl-1H-indazol-3-ylamino)-acetylamino]-azetidin-1-yl}-cyclohexane carboxylic acid ethyl ester
CID 54756045
4-{3-[2-(1-Allyl-5-trifluoromethyl-1H-indazol-3-ylamino)-acetylamino]-azetidin-1-yl}-cyclohexane carboxylic acid ethyl ester
CID 54756156

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The IUPAC name of N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (CID 54754725) is N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.
What is the SMILES notation for N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The canonical SMILES for N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is CCOC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1.
What is the InChIKey of N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The InChIKey is OCUZPPWOGZGESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N5O2/c1-3-32-17-7-5-16(6-8-17)30-12-15(13-30)27-20(31)11-26-21-18-10-14(22(23,24)25)4-9-19(18)29(2)28-21/h4,9-10,15-17H,3,5-8,11-13H2,1-2H3,(H,26,28)(H,27,31).
What are the key properties of N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide has a molecular weight of 453.51 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is sourced from PubChem (CID 54754725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).