2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C26H29N5O3 — CID 46942587

IUPAC2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(OCCNc2ccn3nc(-c4ccc(OCCN5CCOCC5)cc4)cc3n2)cc1
InChIInChI=1S/C26H29N5O3/c1-2-4-22(5-3-1)33-16-11-27-25-10-12-31-26(28-25)20-24(29-31)21-6-8-23(9-7-21)34-19-15-30-13-17-32-18-14-30/h1-10,12,20H,11,13-19H2,(H,27,28)
InChIKeyKZSDMOJLBMGRCV-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.60
Rot. Bonds10

About 2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine

2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 46942587) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID46942587
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(OCCNc2ccn3nc(-c4ccc(OCCN5CCOCC5)cc4)cc3n2)cc1
InChIInChI=1S/C26H29N5O3/c1-2-4-22(5-3-1)33-16-11-27-25-10-12-31-26(28-25)20-24(29-31)21-6-8-23(9-7-21)34-19-15-30-13-17-32-18-14-30/h1-10,12,20H,11,13-19H2,(H,27,28)
InChIKeyKZSDMOJLBMGRCV-UHFFFAOYSA-N
XLogP3.60
TPSA73.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 46942587) is 2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine is c1ccc(OCCNc2ccn3nc(-c4ccc(OCCN5CCOCC5)cc4)cc3n2)cc1.
What is the InChIKey of 2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is KZSDMOJLBMGRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-2-4-22(5-3-1)33-16-11-27-25-10-12-31-26(28-25)20-24(29-31)21-6-8-23(9-7-21)34-19-15-30-13-17-32-18-14-30/h1-10,12,20H,11,13-19H2,(H,27,28).
What are the key properties of 2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 459.55 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 46942587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).