(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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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).