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

C16H21N5O3 — CID 137018513

IUPAC3-(morpholine-4-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCOCC1
InChIInChI=1S/C16H21N5O3/c22-14-9-13(11-1-3-17-4-2-11)21-15(19-14)12(10-18-21)16(23)20-5-7-24-8-6-20/h9-11,17H,1-8H2,(H,19,22)
InChIKeyATCIOTNLQZOMNX-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.04
Rot. Bonds2

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

3-(morpholine-4-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018513) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018513
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name3-(morpholine-4-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCOCC1
InChIInChI=1S/C16H21N5O3/c22-14-9-13(11-1-3-17-4-2-11)21-15(19-14)12(10-18-21)16(23)20-5-7-24-8-6-20/h9-11,17H,1-8H2,(H,19,22)
InChIKeyATCIOTNLQZOMNX-UHFFFAOYSA-N
XLogP-0.04
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US10118930, Example 452
CID 137018609
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 326
CID 137018650
US10118930, Example 362
CID 137018668
US10118930, Example 51
CID 137018245
US10118930, Example 83
CID 137018276

Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(morpholine-4-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018513) is 3-(morpholine-4-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(morpholine-4-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCOCC1.
What is the InChIKey of 3-(morpholine-4-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is ATCIOTNLQZOMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-14-9-13(11-1-3-17-4-2-11)21-15(19-14)12(10-18-21)16(23)20-5-7-24-8-6-20/h9-11,17H,1-8H2,(H,19,22).
What are the key properties of 3-(morpholine-4-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(morpholine-4-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 331.38 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).