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

C16H21N5O2 — CID 137018535

IUPAC7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCCC1
InChIInChI=1S/C16H21N5O2/c22-14-9-13(11-3-5-17-6-4-11)21-15(19-14)12(10-18-21)16(23)20-7-1-2-8-20/h9-11,17H,1-8H2,(H,19,22)
InChIKeyGNRKHIKIYFVFMS-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.73
Rot. Bonds2

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

7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018535) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018535
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCCC1
InChIInChI=1S/C16H21N5O2/c22-14-9-13(11-3-5-17-6-4-11)21-15(19-14)12(10-18-21)16(23)20-7-1-2-8-20/h9-11,17H,1-8H2,(H,19,22)
InChIKeyGNRKHIKIYFVFMS-UHFFFAOYSA-N
XLogP0.73
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018535) is 7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCCC1.
What is the InChIKey of 7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is GNRKHIKIYFVFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c22-14-9-13(11-3-5-17-6-4-11)21-15(19-14)12(10-18-21)16(23)20-7-1-2-8-20/h9-11,17H,1-8H2,(H,19,22).
What are the key properties of 7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 315.38 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).