[6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone

C22H27N5O2 — CID 57316548

About [6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone

[6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 57316548) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is [6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
• PubChem CID: 57316548
• Molecular Formula: C22H27N5O2
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.22
• IUPAC Name: [6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
• SMILES: CC(C)Nc1cccnc1N1CCN(C(=O)c2c[nH]c3cc(CO)ccc23)CC1
• InChI: InChI=1S/C22H27N5O2/c1-15(2)25-19-4-3-7-23-21(19)26-8-10-27(11-9-26)22(29)18-13-24-20-12-16(14-28)5-6-17(18)20/h3-7,12-13,15,24-25,28H,8-11,14H2,1-2H3
• InChIKey: VWQKGHAXNDNIDH-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 84.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone?

The IUPAC name of [6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone (CID 57316548) is [6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone.

What is the SMILES notation for [6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone?

The canonical SMILES for [6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone is CC(C)Nc1cccnc1N1CCN(C(=O)c2c[nH]c3cc(CO)ccc23)CC1.

What is the InChIKey of [6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone?

The InChIKey is VWQKGHAXNDNIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15(2)25-19-4-3-7-23-21(19)26-8-10-27(11-9-26)22(29)18-13-24-20-12-16(14-28)5-6-17(18)20/h3-7,12-13,15,24-25,28H,8-11,14H2,1-2H3.

What are the key properties of [6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone?

[6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 393.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 57316548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).