3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine

C26H29N5O2 — CID 144626308

IUPAC3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2cnn3c(NCCN4CCOCC4)cc(Oc4ccccc4)nc23)cc1C
InChIInChI=1S/C26H29N5O2/c1-19-8-9-21(16-20(19)2)23-18-28-31-24(27-10-11-30-12-14-32-15-13-30)17-25(29-26(23)31)33-22-6-4-3-5-7-22/h3-9,16-18,27H,10-15H2,1-2H3
InChIKeyWCGRQCIZZGYJLM-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.55
Rot. Bonds7

About 3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine

3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 144626308) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID144626308
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2cnn3c(NCCN4CCOCC4)cc(Oc4ccccc4)nc23)cc1C
InChIInChI=1S/C26H29N5O2/c1-19-8-9-21(16-20(19)2)23-18-28-31-24(27-10-11-30-12-14-32-15-13-30)17-25(29-26(23)31)33-22-6-4-3-5-7-22/h3-9,16-18,27H,10-15H2,1-2H3
InChIKeyWCGRQCIZZGYJLM-UHFFFAOYSA-N
XLogP4.55
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine
CID 137396251
3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 137396507
3-(3,4-dimethylphenyl)-5-(3-fluorophenoxy)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 144626340
5-methyl-N-(2-morpholin-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665651
2-methyl-4-[7-(oxan-4-ylmethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]-N-propylbenzamide
CID 137395800
3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475082
3-(3,4-dimethylphenyl)-5-N-methyl-7-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 137396375
N-cyclopropyl-4-[5-(3-fluorophenoxy)-7-[2-(4-hydroxypiperidin-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 118458796
N-cyclopropyl-2-methyl-4-[7-[2-(oxan-4-yl)ethylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 118452801
N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126472969
5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044964
N-cyclopropyl-4-[7-[(4-fluoro-1-methylpiperidin-4-yl)methylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 90176217

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine (CID 144626308) is 3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(-c2cnn3c(NCCN4CCOCC4)cc(Oc4ccccc4)nc23)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WCGRQCIZZGYJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-19-8-9-21(16-20(19)2)23-18-28-31-24(27-10-11-30-12-14-32-15-13-30)17-25(29-26(23)31)33-22-6-4-3-5-7-22/h3-9,16-18,27H,10-15H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine?
3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 443.55 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 144626308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).