3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine

C21H26FN5O — CID 647327

IUPAC3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCN2CCOCC2)n2nc(C)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C21H26FN5O/c1-15-14-19(23-8-3-9-26-10-12-28-13-11-26)27-21(24-15)20(16(2)25-27)17-4-6-18(22)7-5-17/h4-7,14,23H,3,8-13H2,1-2H3
InChIKeyGJBMKWRTVJKJMB-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.29
Rot. Bonds6

About 3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 647327) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID647327
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCN2CCOCC2)n2nc(C)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C21H26FN5O/c1-15-14-19(23-8-3-9-26-10-12-28-13-11-26)27-21(24-15)20(16(2)25-27)17-4-6-18(22)7-5-17/h4-7,14,23H,3,8-13H2,1-2H3
InChIKeyGJBMKWRTVJKJMB-UHFFFAOYSA-N
XLogP3.29
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 647327) is 3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCCN2CCOCC2)n2nc(C)c(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GJBMKWRTVJKJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-15-14-19(23-8-3-9-26-10-12-28-13-11-26)27-21(24-15)20(16(2)25-27)17-4-6-18(22)7-5-17/h4-7,14,23H,3,8-13H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 383.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 647327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).