5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H21N5O3 — CID 137018277

IUPAC5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCOC1)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C16H21N5O3/c22-14-7-13(10-1-4-17-5-2-10)21-15(20-14)12(8-18-21)16(23)19-11-3-6-24-9-11/h7-8,10-11,17H,1-6,9H2,(H,19,23)(H,20,22)
InChIKeyQHLDZELPDGJNGJ-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.01
Rot. Bonds3

About 5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018277) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018277
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCOC1)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C16H21N5O3/c22-14-7-13(10-1-4-17-5-2-10)21-15(20-14)12(8-18-21)16(23)19-11-3-6-24-9-11/h7-8,10-11,17H,1-6,9H2,(H,19,23)(H,20,22)
InChIKeyQHLDZELPDGJNGJ-UHFFFAOYSA-N
XLogP0.01
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018277) is 5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCOC1)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of 5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QHLDZELPDGJNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-14-7-13(10-1-4-17-5-2-10)21-15(20-14)12(8-18-21)16(23)19-11-3-6-24-9-11/h7-8,10-11,17H,1-6,9H2,(H,19,23)(H,20,22).
What are the key properties of 5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(oxolan-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).