(Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol

C25H31F4N3O2 — CID 143024776

IUPAC(Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(O)(C/C(N)=C/c1ccnc(N2CCOCC2)c1)C(F)(F)F
InChIInChI=1S/C25H31F4N3O2/c1-17-4-5-19(26)14-21(17)23(2,3)16-24(33,25(27,28)29)15-20(30)12-18-6-7-31-22(13-18)32-8-10-34-11-9-32/h4-7,12-14,33H,8-11,15-16,30H2,1-3H3/b20-12-
InChIKeySMTPPNAHYSHDIA-NDENLUEZSA-N
MW481.53 g/mol
LogP4.72
Rot. Bonds7

About (Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol

(Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol (PubChem CID 143024776) has the molecular formula C25H31F4N3O2 and a molecular weight of 481.53 g/mol. Its IUPAC name is (Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol.

Molecular Properties

Compound Name(Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol
PubChem CID143024776
Molecular FormulaC25H31F4N3O2
Molecular Weight481.53 g/mol
Exact Mass481.24
IUPAC Name(Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(O)(C/C(N)=C/c1ccnc(N2CCOCC2)c1)C(F)(F)F
InChIInChI=1S/C25H31F4N3O2/c1-17-4-5-19(26)14-21(17)23(2,3)16-24(33,25(27,28)29)15-20(30)12-18-6-7-31-22(13-18)32-8-10-34-11-9-32/h4-7,12-14,33H,8-11,15-16,30H2,1-3H3/b20-12-
InChIKeySMTPPNAHYSHDIA-NDENLUEZSA-N
XLogP4.72
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol
CID 11225369
2-[(Z)-6-amino-4-hydroxy-2-methyl-7-[2-(morpholin-4-ylmethyl)-4-pyridinyl]-4-(trifluoromethyl)hept-6-en-2-yl]-4-phenylphenol
CID 143024604
(Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol
CID 142814297
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol
CID 91089694
3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one
CID 143024550
2-[4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 118723171
2-(5-fluoro-2-morpholin-4-ylphenyl)propan-2-ol
CID 117350892
(Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol
CID 143024467
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-6-ylmethyl)pentan-2-ol
CID 11269445
(2R)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(4-methylphenyl)sulfinylmethyl]pentan-2-ol
CID 67132211
4-[4-(2,2-dimethylpropyl)-2-pyridinyl]morpholine
CID 59574141
2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]benzenesulfonamide
CID 118723173

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol?
The IUPAC name of (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) is (Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol.
What is the SMILES notation for (Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol?
The canonical SMILES for (Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol is Cc1ccc(F)cc1C(C)(C)CC(O)(C/C(N)=C/c1ccnc(N2CCOCC2)c1)C(F)(F)F.
What is the InChIKey of (Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol?
The InChIKey is SMTPPNAHYSHDIA-NDENLUEZSA-N. The full InChI is InChI=1S/C25H31F4N3O2/c1-17-4-5-19(26)14-21(17)23(2,3)16-24(33,25(27,28)29)15-20(30)12-18-6-7-31-22(13-18)32-8-10-34-11-9-32/h4-7,12-14,33H,8-11,15-16,30H2,1-3H3/b20-12-.
What are the key properties of (Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol?
(Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol has a molecular weight of 481.53 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-6-(5-fluoro-2-methylphenyl)-6-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)hept-1-en-4-ol is sourced from PubChem (CID 143024776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).