[[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol

C24H26F3N5O3 — CID 130178683

IUPAC[[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol
SMILESCCOc1ncc(-c2cc(NC(O)c3cccc(C(F)(F)F)c3)cnc2C)nc1N1CCOCC1
InChIInChI=1S/C24H26F3N5O3/c1-3-35-23-21(32-7-9-34-10-8-32)31-20(14-29-23)19-12-18(13-28-15(19)2)30-22(33)16-5-4-6-17(11-16)24(25,26)27/h4-6,11-14,22,30,33H,3,7-10H2,1-2H3
InChIKeyZCNIZVSSRJVFDL-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.20
Rot. Bonds7

About [[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol

[[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 130178683) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is [[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol
PubChem CID130178683
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name[[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol
SMILESCCOc1ncc(-c2cc(NC(O)c3cccc(C(F)(F)F)c3)cnc2C)nc1N1CCOCC1
InChIInChI=1S/C24H26F3N5O3/c1-3-35-23-21(32-7-9-34-10-8-32)31-20(14-29-23)19-12-18(13-28-15(19)2)30-22(33)16-5-4-6-17(11-16)24(25,26)27/h4-6,11-14,22,30,33H,3,7-10H2,1-2H3
InChIKeyZCNIZVSSRJVFDL-UHFFFAOYSA-N
XLogP4.20
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 90456342
[3-(difluoromethyl)phenyl]-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylanilino]methanol
CID 138714541
N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 90456804
5-[5-[[[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-hydroxymethyl]amino]-2-methyl-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one
CID 130425632
N-[5-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 90407965
N-[5-[6-(1,1-dihydroxythian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 118870900
N-[5-(6-but-3-ynoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 135390019
N-[5-[2-(azetidin-3-ylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 90456043
N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 134609472
(1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 124549015
2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 90461314
2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 166372591

Frequently Asked Questions

What is the IUPAC name of [[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol (CID 130178683) is [[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol is CCOc1ncc(-c2cc(NC(O)c3cccc(C(F)(F)F)c3)cnc2C)nc1N1CCOCC1.
What is the InChIKey of [[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is ZCNIZVSSRJVFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-3-35-23-21(32-7-9-34-10-8-32)31-20(14-29-23)19-12-18(13-28-15(19)2)30-22(33)16-5-4-6-17(11-16)24(25,26)27/h4-6,11-14,22,30,33H,3,7-10H2,1-2H3.
What are the key properties of [[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol?
[[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 489.50 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]amino]-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 130178683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).