cyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C16H20N4O3 — CID 137018664

IUPACcyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESO=C(OC1CCC1)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C16H20N4O3/c21-14-8-13(10-4-6-17-7-5-10)20-15(19-14)12(9-18-20)16(22)23-11-2-1-3-11/h8-11,17H,1-7H2,(H,19,21)
InChIKeyNRPVONVYCOVDFB-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.20
Rot. Bonds3

About cyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

cyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137018664) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is cyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namecyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137018664
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Namecyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESO=C(OC1CCC1)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C16H20N4O3/c21-14-8-13(10-4-6-17-7-5-10)20-15(19-14)12(9-18-20)16(22)23-11-2-1-3-11/h8-11,17H,1-7H2,(H,19,21)
InChIKeyNRPVONVYCOVDFB-UHFFFAOYSA-N
XLogP1.20
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US10118930, Example 352
CID 137018395
US10118930, Example 354
CID 137018397
US10118930, Example 353
CID 137018542
US10118930, Example 355
CID 137018549
US10118930, Example 463
CID 137018607
US10118930, Example 82
CID 137018277
US10118930, Example 99
CID 137018285
US10118930, Example 366
CID 137018304
US10118930, Example 19
CID 137018318
US10118930, Example 91
CID 137018337
US10118930, Example 95
CID 137018340
US10118930, Example 93
CID 137018341

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of cyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137018664) is cyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for cyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for cyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is O=C(OC1CCC1)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of cyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is NRPVONVYCOVDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-14-8-13(10-4-6-17-7-5-10)20-15(19-14)12(9-18-20)16(22)23-11-2-1-3-11/h8-11,17H,1-7H2,(H,19,21).
What are the key properties of cyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
cyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137018664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).