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

C16H22N6O2 — CID 134799874

IUPACN-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CN(c2ccnc3ccnn23)C1
InChIInChI=1S/C16H22N6O2/c23-16(18-5-6-20-7-9-24-10-8-20)13-11-21(12-13)15-2-3-17-14-1-4-19-22(14)15/h1-4,13H,5-12H2,(H,18,23)
InChIKeyPYOOKCNSZJSMFM-UHFFFAOYSA-N
MW330.39 g/mol
LogP-0.39
Rot. Bonds5

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

N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide (PubChem CID 134799874) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide
PubChem CID134799874
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CN(c2ccnc3ccnn23)C1
InChIInChI=1S/C16H22N6O2/c23-16(18-5-6-20-7-9-24-10-8-20)13-11-21(12-13)15-2-3-17-14-1-4-19-22(14)15/h1-4,13H,5-12H2,(H,18,23)
InChIKeyPYOOKCNSZJSMFM-UHFFFAOYSA-N
XLogP-0.39
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-0.39
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-ylazetidine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide (CID 134799874) is N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide is O=C(NCCN1CCOCC1)C1CN(c2ccnc3ccnn23)C1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide?
The InChIKey is PYOOKCNSZJSMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c23-16(18-5-6-20-7-9-24-10-8-20)13-11-21(12-13)15-2-3-17-14-1-4-19-22(14)15/h1-4,13H,5-12H2,(H,18,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide?
N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide has a molecular weight of 330.39 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-ylazetidine-3-carboxamide is sourced from PubChem (CID 134799874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).