3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C15H19FN4O3 — CID 137018395

IUPAC3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESO=C(OCCCF)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C15H19FN4O3/c16-4-1-7-23-15(22)11-9-18-20-12(8-13(21)19-14(11)20)10-2-5-17-6-3-10/h8-10,17H,1-7H2,(H,19,21)
InChIKeyYSJANLGWPVEXLP-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.01
Rot. Bonds5

About 3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137018395) has the molecular formula C15H19FN4O3 and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137018395
Molecular FormulaC15H19FN4O3
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC Name3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESO=C(OCCCF)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C15H19FN4O3/c16-4-1-7-23-15(22)11-9-18-20-12(8-13(21)19-14(11)20)10-2-5-17-6-3-10/h8-10,17H,1-7H2,(H,19,21)
InChIKeyYSJANLGWPVEXLP-UHFFFAOYSA-N
XLogP1.01
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

US10118930, Example 101
CID 137018280
US10118930, Example 354
CID 137018397
US10118930, Example 458
CID 137018404
US10118930, Example 367
CID 137018439
US10118930, Example 353
CID 137018542
US10118930, Example 355
CID 137018549
US10118930, Example 103
CID 137018571
US10118930, Example 463
CID 137018607
US10118930, Example 465
CID 137018619
US10118930, Example 326
CID 137018650
US10118930, Example 289
CID 137018651
US10118930, Example 362
CID 137018668

Frequently Asked Questions

What is the IUPAC name of 3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of 3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137018395) is 3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for 3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for 3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is O=C(OCCCF)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of 3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is YSJANLGWPVEXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3/c16-4-1-7-23-15(22)11-9-18-20-12(8-13(21)19-14(11)20)10-2-5-17-6-3-10/h8-10,17H,1-7H2,(H,19,21).
What are the key properties of 3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 322.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137018395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).