[1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C26H26N6O2S — CID 71232053

About [1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

[1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 71232053) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is [1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• PubChem CID: 71232053
• Molecular Formula: C26H26N6O2S
• Molecular Weight: 486.60 g/mol
• Exact Mass: 486.18
• IUPAC Name: [1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• SMILES: Cc1cccc(-n2ccc3cc(C(=O)N4CC(N5CCN(C(=O)c6nccs6)CC5)C4)ccc32)n1
• InChI: InChI=1S/C26H26N6O2S/c1-18-3-2-4-23(28-18)32-9-7-19-15-20(5-6-22(19)32)25(33)31-16-21(17-31)29-10-12-30(13-11-29)26(34)24-27-8-14-35-24/h2-9,14-15,21H,10-13,16-17H2,1H3
• InChIKey: NBAGIIUSWZHONQ-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 74.57 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.60
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The IUPAC name of [1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 71232053) is [1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

What is the SMILES notation for [1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The canonical SMILES for [1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is Cc1cccc(-n2ccc3cc(C(=O)N4CC(N5CCN(C(=O)c6nccs6)CC5)C4)ccc32)n1.

What is the InChIKey of [1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The InChIKey is NBAGIIUSWZHONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-18-3-2-4-23(28-18)32-9-7-19-15-20(5-6-22(19)32)25(33)31-16-21(17-31)29-10-12-30(13-11-29)26(34)24-27-8-14-35-24/h2-9,14-15,21H,10-13,16-17H2,1H3.

What are the key properties of [1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

[1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 486.60 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 71232053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).