3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one

C25H29N5OS — CID 3743308

About 3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one

3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 3743308) has the molecular formula C25H29N5OS and a molecular weight of 447.61 g/mol. Its IUPAC name is 3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 3743308
• Molecular Formula: C25H29N5OS
• Molecular Weight: 447.61 g/mol
• Exact Mass: 447.21
• IUPAC Name: 3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one
• SMILES: Cc1nc(Cn2ccnc2C2CCN(C(=O)CCn3cc(C)c4ccccc43)CC2)cs1
• InChI: InChI=1S/C25H29N5OS/c1-18-15-29(23-6-4-3-5-22(18)23)13-9-24(31)28-11-7-20(8-12-28)25-26-10-14-30(25)16-21-17-32-19(2)27-21/h3-6,10,14-15,17,20H,7-9,11-13,16H2,1-2H3
• InChIKey: PRGDOUBBXCPXGL-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 55.95 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.61
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one (CID 3743308) is 3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one is Cc1nc(Cn2ccnc2C2CCN(C(=O)CCn3cc(C)c4ccccc43)CC2)cs1.

What is the InChIKey of 3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one?

The InChIKey is PRGDOUBBXCPXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5OS/c1-18-15-29(23-6-4-3-5-22(18)23)13-9-24(31)28-11-7-20(8-12-28)25-26-10-14-30(25)16-21-17-32-19(2)27-21/h3-6,10,14-15,17,20H,7-9,11-13,16H2,1-2H3.

What are the key properties of 3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one?

3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 447.61 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 3743308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).