1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C24H26FN7O2 — CID 66828528

IUPAC1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)c(F)c4)nc3)C3CC3)no2)cn1
InChIInChI=1S/C24H26FN7O2/c1-23(2,33)13-32-12-15(10-29-32)21-30-22(31-34-21)24(3,16-4-5-16)17-6-7-19(27-11-17)14-8-18(25)20(26)28-9-14/h6-12,16,33H,4-5,13H2,1-3H3,(H2,26,28)/t24-/m0/s1
InChIKeyHOXXYMVXWJWVBP-DEOSSOPVSA-N
MW463.52 g/mol
LogP3.60
Rot. Bonds7

About 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 66828528) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID66828528
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)c(F)c4)nc3)C3CC3)no2)cn1
InChIInChI=1S/C24H26FN7O2/c1-23(2,33)13-32-12-15(10-29-32)21-30-22(31-34-21)24(3,16-4-5-16)17-6-7-19(27-11-17)14-8-18(25)20(26)28-9-14/h6-12,16,33H,4-5,13H2,1-3H3,(H2,26,28)/t24-/m0/s1
InChIKeyHOXXYMVXWJWVBP-DEOSSOPVSA-N
XLogP3.60
TPSA128.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 66828528) is 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)c(F)c4)nc3)C3CC3)no2)cn1.
What is the InChIKey of 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is HOXXYMVXWJWVBP-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-23(2,33)13-32-12-15(10-29-32)21-30-22(31-34-21)24(3,16-4-5-16)17-6-7-19(27-11-17)14-8-18(25)20(26)28-9-14/h6-12,16,33H,4-5,13H2,1-3H3,(H2,26,28)/t24-/m0/s1.
What are the key properties of 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 463.52 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 66828528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).