3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C23H19N5O2 — CID 46944955

IUPAC3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(N)cc(-c4cnc5ccccc5c4)nc23)cc1OC
InChIInChI=1S/C23H19N5O2/c1-29-20-8-7-14(10-21(20)30-2)17-13-26-28-22(24)11-19(27-23(17)28)16-9-15-5-3-4-6-18(15)25-12-16/h3-13H,24H2,1-2H3
InChIKeyOWXXIWQQAWWKPC-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.21
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46944955) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID46944955
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(N)cc(-c4cnc5ccccc5c4)nc23)cc1OC
InChIInChI=1S/C23H19N5O2/c1-29-20-8-7-14(10-21(20)30-2)17-13-26-28-22(24)11-19(27-23(17)28)16-9-15-5-3-4-6-18(15)25-12-16/h3-13H,24H2,1-2H3
InChIKeyOWXXIWQQAWWKPC-UHFFFAOYSA-N
XLogP4.21
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 46944955) is 3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cnn3c(N)cc(-c4cnc5ccccc5c4)nc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OWXXIWQQAWWKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-29-20-8-7-14(10-21(20)30-2)17-13-26-28-22(24)11-19(27-23(17)28)16-9-15-5-3-4-6-18(15)25-12-16/h3-13H,24H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 397.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46944955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).