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

C16H23N5O — CID 137018736

IUPAC7-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(CN3CCCC3)c2[nH]1
InChIInChI=1S/C16H23N5O/c22-15-9-14(12-3-5-17-6-4-12)21-16(19-15)13(10-18-21)11-20-7-1-2-8-20/h9-10,12,17H,1-8,11H2,(H,19,22)
InChIKeyDYSUQGLQTBPQHA-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.09
Rot. Bonds3

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

7-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018736) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018736
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name7-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(CN3CCCC3)c2[nH]1
InChIInChI=1S/C16H23N5O/c22-15-9-14(12-3-5-17-6-4-12)21-16(19-15)13(10-18-21)11-20-7-1-2-8-20/h9-10,12,17H,1-8,11H2,(H,19,22)
InChIKeyDYSUQGLQTBPQHA-UHFFFAOYSA-N
XLogP1.09
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.09
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-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018736) is 7-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(CN3CCCC3)c2[nH]1.
What is the InChIKey of 7-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is DYSUQGLQTBPQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c22-15-9-14(12-3-5-17-6-4-12)21-16(19-15)13(10-18-21)11-20-7-1-2-8-20/h9-10,12,17H,1-8,11H2,(H,19,22).
What are the key properties of 7-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 301.39 g/mol, XLogP of 1.09, 3 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-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).