(Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol

C21H24F4N2O2 — CID 142814297

IUPAC(Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(C/C(N)=C/c1ccncc1)C(F)(F)F
InChIInChI=1S/C21H24F4N2O2/c1-19(2,17-11-15(22)4-5-18(17)29-3)13-20(28,21(23,24)25)12-16(26)10-14-6-8-27-9-7-14/h4-11,28H,12-13,26H2,1-3H3/b16-10-
InChIKeyMHOJZXMGLICBIN-YBEGLDIGSA-N
MW412.43 g/mol
LogP4.58
Rot. Bonds7

About (Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol

(Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol (PubChem CID 142814297) has the molecular formula C21H24F4N2O2 and a molecular weight of 412.43 g/mol. Its IUPAC name is (Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol.

Molecular Properties

Compound Name(Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol
PubChem CID142814297
Molecular FormulaC21H24F4N2O2
Molecular Weight412.43 g/mol
Exact Mass412.18
IUPAC Name(Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(C/C(N)=C/c1ccncc1)C(F)(F)F
InChIInChI=1S/C21H24F4N2O2/c1-19(2,17-11-15(22)4-5-18(17)29-3)13-20(28,21(23,24)25)12-16(26)10-14-6-8-27-9-7-14/h4-11,28H,12-13,26H2,1-3H3/b16-10-
InChIKeyMHOJZXMGLICBIN-YBEGLDIGSA-N
XLogP4.58
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
CID 142814251
methyl (3R)-5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 23584372
methyl 5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 71210621
(6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol
CID 143024393
4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-1-pyridin-4-yl-2-(trifluoromethyl)pentan-1-one
CID 67102307
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(pyridin-3-ylmethyl)pentan-2-ol
CID 10150368
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2,3,5-trifluorophenyl)methyl]pentan-2-ol
CID 10151117
2-[(3,4-dichlorophenyl)methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10238296
(Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol
CID 143024776
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(6-fluoro-2-pyridinyl)methyl]-4-methylpentan-2-ol
CID 10309505
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylpyrrolo[2,3-c]pyridin-1-yl)methyl]pentan-2-ol
CID 66688435
3-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzamide
CID 58959937

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol?
The IUPAC name of (Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol (CID 142814297) is (Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol.
What is the SMILES notation for (Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol?
The canonical SMILES for (Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol is COc1ccc(F)cc1C(C)(C)CC(O)(C/C(N)=C/c1ccncc1)C(F)(F)F.
What is the InChIKey of (Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol?
The InChIKey is MHOJZXMGLICBIN-YBEGLDIGSA-N. The full InChI is InChI=1S/C21H24F4N2O2/c1-19(2,17-11-15(22)4-5-18(17)29-3)13-20(28,21(23,24)25)12-16(26)10-14-6-8-27-9-7-14/h4-11,28H,12-13,26H2,1-3H3/b16-10-.
What are the key properties of (Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol?
(Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol has a molecular weight of 412.43 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol is sourced from PubChem (CID 142814297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).