N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide

C19H15F4N5O2 — CID 175373793

IUPACN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESCc1nn(CC(C)(O)C(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)c2ccc(F)cc12
InChIInChI=1S/C19H15F4N5O2/c1-10-13-5-11(20)3-4-16(13)28(27-10)9-18(2,30)17(29)26-12-6-14(19(21,22)23)15(7-24)25-8-12/h3-6,8,30H,9H2,1-2H3,(H,26,29)
InChIKeyXDVHHRCENKTHRA-UHFFFAOYSA-N
MW421.35 g/mol
LogP3.16
Rot. Bonds4

About N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide

N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 175373793) has the molecular formula C19H15F4N5O2 and a molecular weight of 421.35 g/mol. Its IUPAC name is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide
PubChem CID175373793
Molecular FormulaC19H15F4N5O2
Molecular Weight421.35 g/mol
Exact Mass421.12
IUPAC NameN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESCc1nn(CC(C)(O)C(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)c2ccc(F)cc12
InChIInChI=1S/C19H15F4N5O2/c1-10-13-5-11(20)3-4-16(13)28(27-10)9-18(2,30)17(29)26-12-6-14(19(21,22)23)15(7-24)25-8-12/h3-6,8,30H,9H2,1-2H3,(H,26,29)
InChIKeyXDVHHRCENKTHRA-UHFFFAOYSA-N
XLogP3.16
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 138611575
(2S)-3-(3-chloro-5-fluoroindazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 156841929
(2S)-3-[3-chloro-4-(trifluoromethyl)indazol-1-yl]-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 156841942
3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 146315099
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 118614924
3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 137405477
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluorocarbazol-9-yl)-2-hydroxy-2-methylpropanamide
CID 122640089
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)indazol-1-yl]propanamide
CID 126506111
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[5-(4-fluorophenyl)benzotriazol-1-yl]-2-hydroxy-2-methylpropanamide
CID 137358879
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide
CID 137445272
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3,5-dimethylindol-1-yl)-2-hydroxy-2-methylpropanamide
CID 135265096
2-(5-fluoro-3-methylindazol-1-yl)acetic acid
CID 84675846

Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide (CID 175373793) is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide is Cc1nn(CC(C)(O)C(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)c2ccc(F)cc12.
What is the InChIKey of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide?
The InChIKey is XDVHHRCENKTHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5O2/c1-10-13-5-11(20)3-4-16(13)28(27-10)9-18(2,30)17(29)26-12-6-14(19(21,22)23)15(7-24)25-8-12/h3-6,8,30H,9H2,1-2H3,(H,26,29).
What are the key properties of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide?
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide has a molecular weight of 421.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 175373793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).