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

C17H18N6 — CID 24905221

IUPAC3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3c(ccn3C)c2)c2c(N)ncnc21
InChIInChI=1S/C17H18N6/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-4-5-13-11(8-12)6-7-22(13)3/h4-10H,1-3H3,(H2,18,19,20)
InChIKeySPUWUOGLPPVXCW-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.15
Rot. Bonds2

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

3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905221) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905221
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3c(ccn3C)c2)c2c(N)ncnc21
InChIInChI=1S/C17H18N6/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-4-5-13-11(8-12)6-7-22(13)3/h4-10H,1-3H3,(H2,18,19,20)
InChIKeySPUWUOGLPPVXCW-UHFFFAOYSA-N
XLogP3.15
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905221) is 3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2ccc3c(ccn3C)c2)c2c(N)ncnc21.
What is the InChIKey of 3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SPUWUOGLPPVXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-4-5-13-11(8-12)6-7-22(13)3/h4-10H,1-3H3,(H2,18,19,20).
What are the key properties of 3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 306.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).