4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C18H17FN4O2 — CID 134496078

IUPAC4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cnc1F
InChIInChI=1S/C18H17FN4O2/c1-11-4-12(7-21-17(11)19)15-5-14(25-10-18(2,3)24)9-23-16(15)13(6-20)8-22-23/h4-5,7-9,24H,10H2,1-3H3
InChIKeyIZTGDJJZFXQZSJ-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.87
Rot. Bonds4

About 4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134496078) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134496078
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cnc1F
InChIInChI=1S/C18H17FN4O2/c1-11-4-12(7-21-17(11)19)15-5-14(25-10-18(2,3)24)9-23-16(15)13(6-20)8-22-23/h4-5,7-9,24H,10H2,1-3H3
InChIKeyIZTGDJJZFXQZSJ-UHFFFAOYSA-N
XLogP2.87
TPSA83.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134496078) is 4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1cc(-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cnc1F.
What is the InChIKey of 4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is IZTGDJJZFXQZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11-4-12(7-21-17(11)19)15-5-14(25-10-18(2,3)24)9-23-16(15)13(6-20)8-22-23/h4-5,7-9,24H,10H2,1-3H3.
What are the key properties of 4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 340.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-5-methyl-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134496078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).