3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C18H20N6O — CID 135357982

IUPAC3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOn1ccc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc21
InChIInChI=1S/C18H20N6O/c1-4-25-23-8-7-12-5-6-13(9-14(12)23)16-15-17(19)20-10-21-18(15)24(22-16)11(2)3/h5-11H,4H2,1-3H3,(H2,19,20,21)
InChIKeyHMSBLAUNFJZQJW-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.06
Rot. Bonds4

About 3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 135357982) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID135357982
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOn1ccc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc21
InChIInChI=1S/C18H20N6O/c1-4-25-23-8-7-12-5-6-13(9-14(12)23)16-15-17(19)20-10-21-18(15)24(22-16)11(2)3/h5-11H,4H2,1-3H3,(H2,19,20,21)
InChIKeyHMSBLAUNFJZQJW-UHFFFAOYSA-N
XLogP3.06
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-ethoxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 122442388
3-(3,4-dimethylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 53345583
3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386252
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
CID 24905287
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol
CID 24905288
1-propan-2-yl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905152
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
CID 24905143
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905172
3-[6-[(2-chlorophenyl)methoxy]naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 70697141
3-(6-pent-4-enylnaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 122661612
3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(6-prop-2-enoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 122443103
6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3H-quinazolin-4-one
CID 135947976

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 135357982) is 3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCOn1ccc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc21.
What is the InChIKey of 3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HMSBLAUNFJZQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-4-25-23-8-7-12-5-6-13(9-14(12)23)16-15-17(19)20-10-21-18(15)24(22-16)11(2)3/h5-11H,4H2,1-3H3,(H2,19,20,21).
What are the key properties of 3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyindol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135357982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).