N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

C15H15F6N5O — CID 86660183

IUPACN-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
SMILESO=C(CNc1nn(CC(F)(F)F)c2ccc(C(F)(F)F)cc12)NC1CNC1
InChIInChI=1S/C15H15F6N5O/c16-14(17,18)7-26-11-2-1-8(15(19,20)21)3-10(11)13(25-26)23-6-12(27)24-9-4-22-5-9/h1-3,9,22H,4-7H2,(H,23,25)(H,24,27)
InChIKeyBAYYIMCCKXITFU-UHFFFAOYSA-N
MW395.31 g/mol
LogP2.12
Rot. Bonds5

About N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (PubChem CID 86660183) has the molecular formula C15H15F6N5O and a molecular weight of 395.31 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
PubChem CID86660183
Molecular FormulaC15H15F6N5O
Molecular Weight395.31 g/mol
Exact Mass395.12
IUPAC NameN-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
SMILESO=C(CNc1nn(CC(F)(F)F)c2ccc(C(F)(F)F)cc12)NC1CNC1
InChIInChI=1S/C15H15F6N5O/c16-14(17,18)7-26-11-2-1-8(15(19,20)21)3-10(11)13(25-26)23-6-12(27)24-9-4-22-5-9/h1-3,9,22H,4-7H2,(H,23,25)(H,24,27)
InChIKeyBAYYIMCCKXITFU-UHFFFAOYSA-N
XLogP2.12
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(azetidin-3-ylamino)-2-oxoethyl]amino]-5-(trifluoromethyl)indazole-1-carboxamide
CID 123686404
N-(azetidin-3-yl)-2-[[1-methylsulfonyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide;2,2,2-trifluoroacetic acid
CID 86660185
N-(azetidin-3-yl)-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide
CID 58562786
N-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide
CID 70641781
2-[[1-ethyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-hydroxy-4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide
CID 54755559
3-[[2-oxo-2-[[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]amino]-N-propyl-5-(trifluoromethyl)indazole-1-carboxamide
CID 67479024
N-[2-(azetidin-3-ylamino)-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 66750350
N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 58562716
N-cyclopropyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 66329445
2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid
CID 71223421
N-ethyl-4-[3-[[2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxamide
CID 54769306
2-[[5-(2-fluoropropan-2-yl)-1-methylindazol-3-yl]amino]-N-[1-[4-hydroxy-4-(4-methylphenyl)cyclohexyl]azetidin-3-yl]acetamide
CID 58548742

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The IUPAC name of N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (CID 86660183) is N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is O=C(CNc1nn(CC(F)(F)F)c2ccc(C(F)(F)F)cc12)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The InChIKey is BAYYIMCCKXITFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F6N5O/c16-14(17,18)7-26-11-2-1-8(15(19,20)21)3-10(11)13(25-26)23-6-12(27)24-9-4-22-5-9/h1-3,9,22H,4-7H2,(H,23,25)(H,24,27).
What are the key properties of N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide has a molecular weight of 395.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is sourced from PubChem (CID 86660183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).