(2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

C25H22F4N4O2 — CID 44545862

IUPAC(2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCc1nn(C)c2ccc(N(CCc3ccc(C(F)(F)F)nc3)C(=O)[C@@H](O)c3ccc(F)cc3)cc12
InChIInChI=1S/C25H22F4N4O2/c1-15-20-13-19(8-9-21(20)32(2)31-15)33(24(35)23(34)17-4-6-18(26)7-5-17)12-11-16-3-10-22(30-14-16)25(27,28)29/h3-10,13-14,23,34H,11-12H2,1-2H3/t23-/m0/s1
InChIKeyWYUZUMIOGRPUTO-QHCPKHFHSA-N
MW486.47 g/mol
LogP4.74
Rot. Bonds6

About (2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

(2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (PubChem CID 44545862) has the molecular formula C25H22F4N4O2 and a molecular weight of 486.47 g/mol. Its IUPAC name is (2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name(2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
PubChem CID44545862
Molecular FormulaC25H22F4N4O2
Molecular Weight486.47 g/mol
Exact Mass486.17
IUPAC Name(2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCc1nn(C)c2ccc(N(CCc3ccc(C(F)(F)F)nc3)C(=O)[C@@H](O)c3ccc(F)cc3)cc12
InChIInChI=1S/C25H22F4N4O2/c1-15-20-13-19(8-9-21(20)32(2)31-15)33(24(35)23(34)17-4-6-18(26)7-5-17)12-11-16-3-10-22(30-14-16)25(27,28)29/h3-10,13-14,23,34H,11-12H2,1-2H3/t23-/m0/s1
InChIKeyWYUZUMIOGRPUTO-QHCPKHFHSA-N
XLogP4.74
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide with MolForge

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Related Compounds

(R)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-hydroxy-2-phenylethanone
CID 16662086
(R)-1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 16662093
US10308634, Example 2
CID 121364951
US10308634, Example 7
CID 121364959
US10308634, Example 5
CID 121364970
2-(2,4-difluorophenyl)-2-hydroxy-N-[4-(1H-indazol-5-ylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid
CID 117072741
2-(2,4-difluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone
CID 117073677
2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 117073683
2-(4-fluorophenyl)-2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone
CID 117073692
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide
CID 117073770
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 117073827
1-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117073864

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The IUPAC name of (2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (CID 44545862) is (2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.
What is the SMILES notation for (2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The canonical SMILES for (2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is Cc1nn(C)c2ccc(N(CCc3ccc(C(F)(F)F)nc3)C(=O)[C@@H](O)c3ccc(F)cc3)cc12.
What is the InChIKey of (2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The InChIKey is WYUZUMIOGRPUTO-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H22F4N4O2/c1-15-20-13-19(8-9-21(20)32(2)31-15)33(24(35)23(34)17-4-6-18(26)7-5-17)12-11-16-3-10-22(30-14-16)25(27,28)29/h3-10,13-14,23,34H,11-12H2,1-2H3/t23-/m0/s1.
What are the key properties of (2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
(2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide has a molecular weight of 486.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 44545862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).