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

C18H12F5N5O2 — CID 138611575

IUPACN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(O)(Cn1nc(F)c2cc(F)ccc21)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C18H12F5N5O2/c1-17(30,8-28-14-3-2-9(19)4-11(14)15(20)27-28)16(29)26-10-5-12(18(21,22)23)13(6-24)25-7-10/h2-5,7,30H,8H2,1H3,(H,26,29)
InChIKeyUCEAUZOSUDNXMF-UHFFFAOYSA-N
MW425.32 g/mol
LogP2.99
Rot. Bonds4

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

N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 138611575) has the molecular formula C18H12F5N5O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide
PubChem CID138611575
Molecular FormulaC18H12F5N5O2
Molecular Weight425.32 g/mol
Exact Mass425.09
IUPAC NameN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(O)(Cn1nc(F)c2cc(F)ccc21)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C18H12F5N5O2/c1-17(30,8-28-14-3-2-9(19)4-11(14)15(20)27-28)16(29)26-10-5-12(18(21,22)23)13(6-24)25-7-10/h2-5,7,30H,8H2,1H3,(H,26,29)
InChIKeyUCEAUZOSUDNXMF-UHFFFAOYSA-N
XLogP2.99
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 175373793
(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
3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 137405477
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 118614924
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
(2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide
CID 153366038

Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide (CID 138611575) is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide is CC(O)(Cn1nc(F)c2cc(F)ccc21)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide?
The InChIKey is UCEAUZOSUDNXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N5O2/c1-17(30,8-28-14-3-2-9(19)4-11(14)15(20)27-28)16(29)26-10-5-12(18(21,22)23)13(6-24)25-7-10/h2-5,7,30H,8H2,1H3,(H,26,29).
What are the key properties of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide?
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide has a molecular weight of 425.32 g/mol, XLogP of 2.99, 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-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 138611575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).