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

C16H19F2N5O2 — CID 137018280

IUPAC3-(3,3-difluoropyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCC(F)(F)C1
InChIInChI=1S/C16H19F2N5O2/c17-16(18)3-6-22(9-16)15(25)11-8-20-23-12(7-13(24)21-14(11)23)10-1-4-19-5-2-10/h7-8,10,19H,1-6,9H2,(H,21,24)
InChIKeyRFUZBKZLZVDICO-UHFFFAOYSA-N
MW351.36 g/mol
LogP0.97
Rot. Bonds2

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

3-(3,3-difluoropyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018280) has the molecular formula C16H19F2N5O2 and a molecular weight of 351.36 g/mol. Its IUPAC name is 3-(3,3-difluoropyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(3,3-difluoropyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018280
Molecular FormulaC16H19F2N5O2
Molecular Weight351.36 g/mol
Exact Mass351.15
IUPAC Name3-(3,3-difluoropyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCC(F)(F)C1
InChIInChI=1S/C16H19F2N5O2/c17-16(18)3-6-22(9-16)15(25)11-8-20-23-12(7-13(24)21-14(11)23)10-1-4-19-5-2-10/h7-8,10,19H,1-6,9H2,(H,21,24)
InChIKeyRFUZBKZLZVDICO-UHFFFAOYSA-N
XLogP0.97
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(3,3-difluoropyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018280) is 3-(3,3-difluoropyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(3,3-difluoropyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(3,3-difluoropyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is RFUZBKZLZVDICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O2/c17-16(18)3-6-22(9-16)15(25)11-8-20-23-12(7-13(24)21-14(11)23)10-1-4-19-5-2-10/h7-8,10,19H,1-6,9H2,(H,21,24).
What are the key properties of 3-(3,3-difluoropyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(3,3-difluoropyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 351.36 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).