2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride

C21H28ClN5O2 — CID 146052228

IUPAC2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
SMILESCOc1ccccc1-c1cc2nc(C)cc(NCCCN3CCOCC3)n2n1.Cl
InChIInChI=1S/C21H27N5O2.ClH/c1-16-14-20(22-8-5-9-25-10-12-28-13-11-25)26-21(23-16)15-18(24-26)17-6-3-4-7-19(17)27-2;/h3-4,6-7,14-15,22H,5,8-13H2,1-2H3;1H
InChIKeyOKXGMJBAKXUQKG-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.27
Rot. Bonds7

About 2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride

2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride (PubChem CID 146052228) has the molecular formula C21H28ClN5O2 and a molecular weight of 417.94 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
PubChem CID146052228
Molecular FormulaC21H28ClN5O2
Molecular Weight417.94 g/mol
Exact Mass417.19
IUPAC Name2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
SMILESCOc1ccccc1-c1cc2nc(C)cc(NCCCN3CCOCC3)n2n1.Cl
InChIInChI=1S/C21H27N5O2.ClH/c1-16-14-20(22-8-5-9-25-10-12-28-13-11-25)26-21(23-16)15-18(24-26)17-6-3-4-7-19(17)27-2;/h3-4,6-7,14-15,22H,5,8-13H2,1-2H3;1H
InChIKeyOKXGMJBAKXUQKG-UHFFFAOYSA-N
XLogP3.27
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 20895288
2-(2-methoxyphenyl)-N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 20895301
2-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56678801
3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one
CID 20863308
2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
2-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]quinazolin-5-amine
CID 34044453
N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 82270620
8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine
CID 27271084
2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol
CID 3565841
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 20862990
5-methyl-N-(2-morpholin-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665651
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3229916

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The IUPAC name of 2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride (CID 146052228) is 2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The canonical SMILES for 2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride is COc1ccccc1-c1cc2nc(C)cc(NCCCN3CCOCC3)n2n1.Cl.
What is the InChIKey of 2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The InChIKey is OKXGMJBAKXUQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2.ClH/c1-16-14-20(22-8-5-9-25-10-12-28-13-11-25)26-21(23-16)15-18(24-26)17-6-3-4-7-19(17)27-2;/h3-4,6-7,14-15,22H,5,8-13H2,1-2H3;1H.
What are the key properties of 2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride is sourced from PubChem (CID 146052228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).