6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C21H19FN6O2S — CID 171847310

IUPAC6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ncccc3F)c3c(C#N)cnn3c2)cnn1[C@H](C)[C@H](O)CO
InChIInChI=1S/C21H19FN6O2S/c1-12-16(9-26-28(12)13(2)18(30)11-29)14-6-19(31-21-17(22)4-3-5-24-21)20-15(7-23)8-25-27(20)10-14/h3-6,8-10,13,18,29-30H,11H2,1-2H3/t13-,18-/m1/s1
InChIKeyHYGLBULAMLJZGN-FZKQIMNGSA-N
MW438.49 g/mol
LogP2.98
Rot. Bonds6

About 6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847310) has the molecular formula C21H19FN6O2S and a molecular weight of 438.49 g/mol. Its IUPAC name is 6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847310
Molecular FormulaC21H19FN6O2S
Molecular Weight438.49 g/mol
Exact Mass438.13
IUPAC Name6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ncccc3F)c3c(C#N)cnn3c2)cnn1[C@H](C)[C@H](O)CO
InChIInChI=1S/C21H19FN6O2S/c1-12-16(9-26-28(12)13(2)18(30)11-29)14-6-19(31-21-17(22)4-3-5-24-21)20-15(7-23)8-25-27(20)10-14/h3-6,8-10,13,18,29-30H,11H2,1-2H3/t13-,18-/m1/s1
InChIKeyHYGLBULAMLJZGN-FZKQIMNGSA-N
XLogP2.98
TPSA112.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847310) is 6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(Sc3ncccc3F)c3c(C#N)cnn3c2)cnn1[C@H](C)[C@H](O)CO.
What is the InChIKey of 6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is HYGLBULAMLJZGN-FZKQIMNGSA-N. The full InChI is InChI=1S/C21H19FN6O2S/c1-12-16(9-26-28(12)13(2)18(30)11-29)14-6-19(31-21-17(22)4-3-5-24-21)20-15(7-23)8-25-27(20)10-14/h3-6,8-10,13,18,29-30H,11H2,1-2H3/t13-,18-/m1/s1.
What are the key properties of 6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 438.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).