N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane

C22H25F4N5O2 — CID 144796178

IUPACN-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane
SMILESC.CC(C)(N)c1cc(-c2ccc(F)cc2)nc(C(O)(CNC(=O)c2cnc[nH]2)C(F)(F)F)c1
InChIInChI=1S/C21H21F4N5O2.CH4/c1-19(2,26)13-7-15(12-3-5-14(22)6-4-12)30-17(8-13)20(32,21(23,24)25)10-28-18(31)16-9-27-11-29-16;/h3-9,11,32H,10,26H2,1-2H3,(H,27,29)(H,28,31);1H4
InChIKeyTZWSBWIILIITNX-UHFFFAOYSA-N
MW467.47 g/mol
LogP3.62
Rot. Bonds6

About N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane

N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane (PubChem CID 144796178) has the molecular formula C22H25F4N5O2 and a molecular weight of 467.47 g/mol. Its IUPAC name is N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane.

Molecular Properties

Compound NameN-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane
PubChem CID144796178
Molecular FormulaC22H25F4N5O2
Molecular Weight467.47 g/mol
Exact Mass467.19
IUPAC NameN-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane
SMILESC.CC(C)(N)c1cc(-c2ccc(F)cc2)nc(C(O)(CNC(=O)c2cnc[nH]2)C(F)(F)F)c1
InChIInChI=1S/C21H21F4N5O2.CH4/c1-19(2,26)13-7-15(12-3-5-14(22)6-4-12)30-17(8-13)20(32,21(23,24)25)10-28-18(31)16-9-27-11-29-16;/h3-9,11,32H,10,26H2,1-2H3,(H,27,29)(H,28,31);1H4
InChIKeyTZWSBWIILIITNX-UHFFFAOYSA-N
XLogP3.62
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane with MolForge

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Related Compounds

1-[3-(4-fluorophenyl)-3-hydroxy-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660410
N-(6-{4-[1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]phenyl}-2-pyridyl)acetamide
CID 18668580
(S)-N-(6-(4-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl)phenyl)pyridin-2-yl)acetamide
CID 54586281
(R)-N-(6-(4-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl)phenyl)pyridin-2-yl)acetamide
CID 54586320
US11186580, Example 9
CID 138561869
US10738057, Example 9
CID 138562233
US10738057, Example 221
CID 138562350
US11046658, Example 40
CID 150228382
US11046658, Example 39
CID 150321545
US10738057, Example 62
CID 155884310
US10738057, Example 63
CID 155884316
2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-[5-(hydroxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide
CID 145970957

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane?
The IUPAC name of N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane (CID 144796178) is N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane.
What is the SMILES notation for N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane?
The canonical SMILES for N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane is C.CC(C)(N)c1cc(-c2ccc(F)cc2)nc(C(O)(CNC(=O)c2cnc[nH]2)C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane?
The InChIKey is TZWSBWIILIITNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F4N5O2.CH4/c1-19(2,26)13-7-15(12-3-5-14(22)6-4-12)30-17(8-13)20(32,21(23,24)25)10-28-18(31)16-9-27-11-29-16;/h3-9,11,32H,10,26H2,1-2H3,(H,27,29)(H,28,31);1H4.
What are the key properties of N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane?
N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane has a molecular weight of 467.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide;methane is sourced from PubChem (CID 144796178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).