5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C26H25N5O2 — CID 140944753

About 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 140944753) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 140944753
• Molecular Formula: C26H25N5O2
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.20
• IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(C)c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3ccc4c(c3)OCO4)nc12
• InChI: InChI=1S/C26H25N5O2/c1-16(2)20-14-29-31-25(27-10-9-18-13-28-21-6-4-3-5-19(18)21)12-22(30-26(20)31)17-7-8-23-24(11-17)33-15-32-23/h3-8,11-14,16,27-28H,9-10,15H2,1-2H3
• InChIKey: JVZCMFXFAVHOMV-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 76.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 140944753) is 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3ccc4c(c3)OCO4)nc12.

What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is JVZCMFXFAVHOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-16(2)20-14-29-31-25(27-10-9-18-13-28-21-6-4-3-5-19(18)21)12-22(30-26(20)31)17-7-8-23-24(11-17)33-15-32-23/h3-8,11-14,16,27-28H,9-10,15H2,1-2H3.

What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 439.52 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 140944753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).