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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Related Compounds

CID 24821094
CID 24821094
CID 51039094
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CID 11524144
CID 11524144
CID 24864821
CID 24864821
CID 72202474
CID 72202474
CID 121412508
CID 121412508
CID 56963908
CID 56963908
CID 58223272
CID 58223272
CID 5329447
CID 5329447
CID 50997747
CID 50997747
CID 16126651
CID 16126651
CID 5329453
CID 5329453

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).