3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C19H25N5O3 — CID 137018639

IUPAC3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCC12CCOCC2
InChIInChI=1S/C19H25N5O3/c25-16-11-15(13-1-6-20-7-2-13)24-17(22-16)14(12-21-24)18(26)23-8-3-19(23)4-9-27-10-5-19/h11-13,20H,1-10H2,(H,22,25)
InChIKeyVBXLPJQBNLLECR-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.88
Rot. Bonds2

About 3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018639) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018639
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCC12CCOCC2
InChIInChI=1S/C19H25N5O3/c25-16-11-15(13-1-6-20-7-2-13)24-17(22-16)14(12-21-24)18(26)23-8-3-19(23)4-9-27-10-5-19/h11-13,20H,1-10H2,(H,22,25)
InChIKeyVBXLPJQBNLLECR-UHFFFAOYSA-N
XLogP0.88
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US10118930, Example 101
CID 137018280
US10118930, Example 352
CID 137018395
US10118930, Example 103
CID 137018571
US10118930, Example 326
CID 137018650
US10118930, Example 362
CID 137018668
US10118930, Example 51
CID 137018245
US10118930, Example 83
CID 137018276
US10118930, Example 82
CID 137018277
US10118930, Example 100
CID 137018279
US10118930, Example 98
CID 137018284
US10118930, Example 99
CID 137018285
US10118930, Example 37
CID 137018291

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018639) is 3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCC12CCOCC2.
What is the InChIKey of 3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is VBXLPJQBNLLECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-16-11-15(13-1-6-20-7-2-13)24-17(22-16)14(12-21-24)18(26)23-8-3-19(23)4-9-27-10-5-19/h11-13,20H,1-10H2,(H,22,25).
What are the key properties of 3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 371.44 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxa-1-azaspiro[3.5]nonane-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).