7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine

C25H26N6O — CID 70999542

IUPAC7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESC(CCc1ccccc1)=NNc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C25H26N6O/c1-3-8-20(9-4-1)10-7-13-26-28-23-19-25(30-14-16-32-17-15-30)31-24(27-23)18-22(29-31)21-11-5-2-6-12-21/h1-6,8-9,11-13,18-19H,7,10,14-17H2,(H,27,28)
InChIKeyAECZDRVNBJIDJH-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.26
Rot. Bonds7

About 7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine

7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 70999542) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID70999542
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESC(CCc1ccccc1)=NNc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C25H26N6O/c1-3-8-20(9-4-1)10-7-13-26-28-23-19-25(30-14-16-32-17-15-30)31-24(27-23)18-22(29-31)21-11-5-2-6-12-21/h1-6,8-9,11-13,18-19H,7,10,14-17H2,(H,27,28)
InChIKeyAECZDRVNBJIDJH-UHFFFAOYSA-N
XLogP4.26
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine (CID 70999542) is 7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine is C(CCc1ccccc1)=NNc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is AECZDRVNBJIDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-3-8-20(9-4-1)10-7-13-26-28-23-19-25(30-14-16-32-17-15-30)31-24(27-23)18-22(29-31)21-11-5-2-6-12-21/h1-6,8-9,11-13,18-19H,7,10,14-17H2,(H,27,28).
What are the key properties of 7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine?
7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 426.52 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 70999542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).