2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine

C24H30N6 — CID 142594342

About 2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine

2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine (PubChem CID 142594342) has the molecular formula C24H30N6 and a molecular weight of 402.55 g/mol. Its IUPAC name is 2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine.

Molecular Properties

• Compound Name: 2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
• PubChem CID: 142594342
• Molecular Formula: C24H30N6
• Molecular Weight: 402.55 g/mol
• Exact Mass: 402.25
• IUPAC Name: 2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
• SMILES: CC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(C3CCN(CCN)CC3)cc12
• InChI: InChI=1S/C24H30N6/c1-15(2)22-19-13-17(16-6-10-30(11-7-16)12-8-25)3-4-21(19)28-23(22)18-5-9-26-24-20(18)14-27-29-24/h3-5,9,13-16,28H,6-8,10-12,25H2,1-2H3,(H,26,27,29)
• InChIKey: WRIBACUHWNLHEG-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 86.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.55
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine?

The IUPAC name of 2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine (CID 142594342) is 2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine.

What is the SMILES notation for 2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine?

The canonical SMILES for 2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine is CC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(C3CCN(CCN)CC3)cc12.

What is the InChIKey of 2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine?

The InChIKey is WRIBACUHWNLHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6/c1-15(2)22-19-13-17(16-6-10-30(11-7-16)12-8-25)3-4-21(19)28-23(22)18-5-9-26-24-20(18)14-27-29-24/h3-5,9,13-16,28H,6-8,10-12,25H2,1-2H3,(H,26,27,29).

What are the key properties of 2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine?

2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine has a molecular weight of 402.55 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 142594342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).