3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C15H17F2N5O2 — CID 137018650

IUPAC3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CC(F)(F)C1
InChIInChI=1S/C15H17F2N5O2/c16-15(17)7-21(8-15)14(24)10-6-19-22-11(5-12(23)20-13(10)22)9-1-3-18-4-2-9/h5-6,9,18H,1-4,7-8H2,(H,20,23)
InChIKeyJHXIJHNLAHUGCP-UHFFFAOYSA-N
MW337.33 g/mol
LogP0.58
Rot. Bonds2

About 3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018650) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018650
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC Name3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CC(F)(F)C1
InChIInChI=1S/C15H17F2N5O2/c16-15(17)7-21(8-15)14(24)10-6-19-22-11(5-12(23)20-13(10)22)9-1-3-18-4-2-9/h5-6,9,18H,1-4,7-8H2,(H,20,23)
InChIKeyJHXIJHNLAHUGCP-UHFFFAOYSA-N
XLogP0.58
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10118930, Example 452
CID 137018609
US10118930, Example 453
CID 137018757
US10118930, Example 101
CID 137018280
US10118930, Example 352
CID 137018395
US10118930, Example 354
CID 137018397
US10118930, Example 353
CID 137018542
US10118930, Example 355
CID 137018549
US10118930, Example 103
CID 137018571
US10118930, Example 463
CID 137018607
US10118930, Example 362
CID 137018668
2-[4-[4-(2,2,2-Trifluoroethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049273
4-methyl-2-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049308

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018650) is 3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JHXIJHNLAHUGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O2/c16-15(17)7-21(8-15)14(24)10-6-19-22-11(5-12(23)20-13(10)22)9-1-3-18-4-2-9/h5-6,9,18H,1-4,7-8H2,(H,20,23).
What are the key properties of 3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 337.33 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoroazetidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).