5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19FN6O3 — CID 86766708

IUPAC5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCONC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12
InChIInChI=1S/C18H19FN6O3/c1-28-23-18(27)13-9-21-25-6-4-16(22-17(13)25)24-5-2-3-15(24)12-7-11(19)8-20-14(12)10-26/h4,6-9,15,26H,2-3,5,10H2,1H3,(H,23,27)
InChIKeyQXAHXTDSSDCLJU-UHFFFAOYSA-N
MW386.39 g/mol
LogP1.39
Rot. Bonds5

About 5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86766708) has the molecular formula C18H19FN6O3 and a molecular weight of 386.39 g/mol. Its IUPAC name is 5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86766708
Molecular FormulaC18H19FN6O3
Molecular Weight386.39 g/mol
Exact Mass386.15
IUPAC Name5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCONC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12
InChIInChI=1S/C18H19FN6O3/c1-28-23-18(27)13-9-21-25-6-4-16(22-17(13)25)24-5-2-3-15(24)12-7-11(19)8-20-14(12)10-26/h4,6-9,15,26H,2-3,5,10H2,1H3,(H,23,27)
InChIKeyQXAHXTDSSDCLJU-UHFFFAOYSA-N
XLogP1.39
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86766708) is 5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide is CONC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12.
What is the InChIKey of 5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QXAHXTDSSDCLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O3/c1-28-23-18(27)13-9-21-25-6-4-16(22-17(13)25)24-5-2-3-15(24)12-7-11(19)8-20-14(12)10-26/h4,6-9,15,26H,2-3,5,10H2,1H3,(H,23,27).
What are the key properties of 5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 386.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86766708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).