N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide

C23H24F3N3O3 — CID 77353654

IUPACN-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide
SMILESCC(=O)NC(C)COc1ccc(-n2nc3cc(OCC4CC4)ccc3c2C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N3O3/c1-14(27-15(2)30)12-31-18-7-5-17(6-8-18)29-22(23(24,25)26)20-10-9-19(11-21(20)28-29)32-13-16-3-4-16/h5-11,14,16H,3-4,12-13H2,1-2H3,(H,27,30)
InChIKeyVVLMKLWEKZNRDF-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.74
Rot. Bonds8

About N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide

N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide (PubChem CID 77353654) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide
PubChem CID77353654
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC NameN-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide
SMILESCC(=O)NC(C)COc1ccc(-n2nc3cc(OCC4CC4)ccc3c2C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N3O3/c1-14(27-15(2)30)12-31-18-7-5-17(6-8-18)29-22(23(24,25)26)20-10-9-19(11-21(20)28-29)32-13-16-3-4-16/h5-11,14,16H,3-4,12-13H2,1-2H3,(H,27,30)
InChIKeyVVLMKLWEKZNRDF-UHFFFAOYSA-N
XLogP4.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-[6-(cyclopropylmethoxy)-3-methylindazol-2-yl]phenoxy]propan-2-yl]acetamide
CID 77353781
4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol
CID 67777563
N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide
CID 77353586
N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide
CID 67777438
N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
CID 67777812
[4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane
CID 67778921
N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide
CID 123858906
6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile
CID 67777901
N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide
CID 67777850
N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
CID 67778297
N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide
CID 67778633
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide
CID 130472859

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide (CID 77353654) is N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide is CC(=O)NC(C)COc1ccc(-n2nc3cc(OCC4CC4)ccc3c2C(F)(F)F)cc1.
What is the InChIKey of N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide?
The InChIKey is VVLMKLWEKZNRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-14(27-15(2)30)12-31-18-7-5-17(6-8-18)29-22(23(24,25)26)20-10-9-19(11-21(20)28-29)32-13-16-3-4-16/h5-11,14,16H,3-4,12-13H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide?
N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide has a molecular weight of 447.46 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide is sourced from PubChem (CID 77353654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).