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

C17H23N5O3 — CID 137018340

IUPAC3-(4-hydroxypiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCC(O)CC1
InChIInChI=1S/C17H23N5O3/c23-12-3-7-21(8-4-12)17(25)13-10-19-22-14(9-15(24)20-16(13)22)11-1-5-18-6-2-11/h9-12,18,23H,1-8H2,(H,20,24)
InChIKeyOEQZTCJMZAWERG-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.09
Rot. Bonds2

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

3-(4-hydroxypiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018340) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(4-hydroxypiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(4-hydroxypiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018340
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name3-(4-hydroxypiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCC(O)CC1
InChIInChI=1S/C17H23N5O3/c23-12-3-7-21(8-4-12)17(25)13-10-19-22-14(9-15(24)20-16(13)22)11-1-5-18-6-2-11/h9-12,18,23H,1-8H2,(H,20,24)
InChIKeyOEQZTCJMZAWERG-UHFFFAOYSA-N
XLogP0.09
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(4-hydroxypiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018340) is 3-(4-hydroxypiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(4-hydroxypiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(4-hydroxypiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)N1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxypiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is OEQZTCJMZAWERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c23-12-3-7-21(8-4-12)17(25)13-10-19-22-14(9-15(24)20-16(13)22)11-1-5-18-6-2-11/h9-12,18,23H,1-8H2,(H,20,24).
What are the key properties of 3-(4-hydroxypiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(4-hydroxypiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 345.40 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).