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

C22H26FN5O2 — CID 57095998

About (5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone

(5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 57095998) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is (5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
• PubChem CID: 57095998
• Molecular Formula: C22H26FN5O2
• Molecular Weight: 411.48 g/mol
• Exact Mass: 411.21
• IUPAC Name: (5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
• SMILES: COc1cc2[nH]cc(C(=O)N3CCN(c4ncccc4NC(C)C)CC3)c2cc1F
• InChI: InChI=1S/C22H26FN5O2/c1-14(2)26-18-5-4-6-24-21(18)27-7-9-28(10-8-27)22(29)16-13-25-19-12-20(30-3)17(23)11-15(16)19/h4-6,11-14,25-26H,7-10H2,1-3H3
• InChIKey: CXIZUFIXUSXFRG-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 73.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.48
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone?

The IUPAC name of (5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone (CID 57095998) is (5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone.

What is the SMILES notation for (5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone?

The canonical SMILES for (5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone is COc1cc2[nH]cc(C(=O)N3CCN(c4ncccc4NC(C)C)CC3)c2cc1F.

What is the InChIKey of (5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone?

The InChIKey is CXIZUFIXUSXFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-14(2)26-18-5-4-6-24-21(18)27-7-9-28(10-8-27)22(29)16-13-25-19-12-20(30-3)17(23)11-15(16)19/h4-6,11-14,25-26H,7-10H2,1-3H3.

What are the key properties of (5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone?

(5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 411.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 57095998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).