N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide

C18H26N6O2 — CID 134798454

IUPACN-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C18H26N6O2/c25-18(20-7-9-22-10-12-26-13-11-22)15-2-1-8-23(14-15)17-4-5-19-16-3-6-21-24(16)17/h3-6,15H,1-2,7-14H2,(H,20,25)
InChIKeyOXBSEPLQGZPDAN-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.39
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide

N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide (PubChem CID 134798454) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
PubChem CID134798454
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C18H26N6O2/c25-18(20-7-9-22-10-12-26-13-11-22)15-2-1-8-23(14-15)17-4-5-19-16-3-6-21-24(16)17/h3-6,15H,1-2,7-14H2,(H,20,25)
InChIKeyOXBSEPLQGZPDAN-UHFFFAOYSA-N
XLogP0.39
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide (CID 134798454) is N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide is O=C(NCCN1CCOCC1)C1CCCN(c2ccnc3ccnn23)C1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The InChIKey is OXBSEPLQGZPDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c25-18(20-7-9-22-10-12-26-13-11-22)15-2-1-8-23(14-15)17-4-5-19-16-3-6-21-24(16)17/h3-6,15H,1-2,7-14H2,(H,20,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide is sourced from PubChem (CID 134798454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).