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

C27H31N5O3 — CID 137396507

IUPAC3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Oc2cc(NCCN3CCOCC3)n3ncc(-c4ccc(C)c(C)c4)c3n2)c1
InChIInChI=1S/C27H31N5O3/c1-19-7-8-21(15-20(19)2)24-18-29-32-25(28-9-10-31-11-13-34-14-12-31)17-26(30-27(24)32)35-23-6-4-5-22(16-23)33-3/h4-8,15-18,28H,9-14H2,1-3H3
InChIKeyUSKICYUWVCGNAE-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.56
Rot. Bonds8

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

3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 137396507) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID137396507
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Oc2cc(NCCN3CCOCC3)n3ncc(-c4ccc(C)c(C)c4)c3n2)c1
InChIInChI=1S/C27H31N5O3/c1-19-7-8-21(15-20(19)2)24-18-29-32-25(28-9-10-31-11-13-34-14-12-31)17-26(30-27(24)32)35-23-6-4-5-22(16-23)33-3/h4-8,15-18,28H,9-14H2,1-3H3
InChIKeyUSKICYUWVCGNAE-UHFFFAOYSA-N
XLogP4.56
TPSA73.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine
CID 144626308
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-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
3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475082
N-cyclopropyl-4-[5-(3-fluorophenoxy)-7-[2-(4-hydroxypiperidin-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 118458796
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-2-methyl-4-[7-[2-(oxan-4-yl)ethylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 118452801
2-methyl-4-[7-(oxan-4-ylmethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]-N-propylbenzamide
CID 137395800
1-[6-(3-methoxyphenoxy)-3-pyridinyl]-3-(2-morpholin-4-ylethyl)urea
CID 72887930
2-(2-methoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 20895288
N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126472969

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 137396507) is 3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1cccc(Oc2cc(NCCN3CCOCC3)n3ncc(-c4ccc(C)c(C)c4)c3n2)c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is USKICYUWVCGNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-19-7-8-21(15-20(19)2)24-18-29-32-25(28-9-10-31-11-13-34-14-12-31)17-26(30-27(24)32)35-23-6-4-5-22(16-23)33-3/h4-8,15-18,28H,9-14H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 473.58 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 137396507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).