1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H21N5O3 — CID 24905177

IUPAC1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(-c2nn(C(C)C)c3ncnc(N)c23)cc(OC)c1OC
InChIInChI=1S/C17H21N5O3/c1-9(2)22-17-13(16(18)19-8-20-17)14(21-22)10-6-11(23-3)15(25-5)12(7-10)24-4/h6-9H,1-5H3,(H2,18,19,20)
InChIKeyLCQAIZAFSOZWRC-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.68
Rot. Bonds5

About 1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905177) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905177
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(-c2nn(C(C)C)c3ncnc(N)c23)cc(OC)c1OC
InChIInChI=1S/C17H21N5O3/c1-9(2)22-17-13(16(18)19-8-20-17)14(21-22)10-6-11(23-3)15(25-5)12(7-10)24-4/h6-9H,1-5H3,(H2,18,19,20)
InChIKeyLCQAIZAFSOZWRC-UHFFFAOYSA-N
XLogP2.68
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 24905177) is 1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1cc(-c2nn(C(C)C)c3ncnc(N)c23)cc(OC)c1OC.
What is the InChIKey of 1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LCQAIZAFSOZWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-9(2)22-17-13(16(18)19-8-20-17)14(21-22)10-6-11(23-3)15(25-5)12(7-10)24-4/h6-9H,1-5H3,(H2,18,19,20).
What are the key properties of 1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 343.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).