4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine

C19H17FN6 — CID 10308898

IUPAC4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2c(-c3ccnc(F)c3)nn3ccccc23)n1
InChIInChI=1S/C19H17FN6/c1-12(2)23-19-22-9-7-14(24-19)17-15-5-3-4-10-26(15)25-18(17)13-6-8-21-16(20)11-13/h3-12H,1-2H3,(H,22,23,24)
InChIKeyTZDWWUAWVKFTQT-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.81
Rot. Bonds4

About 4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine

4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 10308898) has the molecular formula C19H17FN6 and a molecular weight of 348.39 g/mol. Its IUPAC name is 4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID10308898
Molecular FormulaC19H17FN6
Molecular Weight348.39 g/mol
Exact Mass348.15
IUPAC Name4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2c(-c3ccnc(F)c3)nn3ccccc23)n1
InChIInChI=1S/C19H17FN6/c1-12(2)23-19-22-9-7-14(24-19)17-15-5-3-4-10-26(15)25-18(17)13-6-8-21-16(20)11-13/h3-12H,1-2H3,(H,22,23,24)
InChIKeyTZDWWUAWVKFTQT-UHFFFAOYSA-N
XLogP3.81
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.81
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-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine (CID 10308898) is 4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nccc(-c2c(-c3ccnc(F)c3)nn3ccccc23)n1.
What is the InChIKey of 4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is TZDWWUAWVKFTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6/c1-12(2)23-19-22-9-7-14(24-19)17-15-5-3-4-10-26(15)25-18(17)13-6-8-21-16(20)11-13/h3-12H,1-2H3,(H,22,23,24).
What are the key properties of 4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine?
4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 348.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 10308898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).