3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine

C23H27N5 — CID 154639415

About 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine

3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine (PubChem CID 154639415) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine.

Molecular Properties

• Compound Name: 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine
• PubChem CID: 154639415
• Molecular Formula: C23H27N5
• Molecular Weight: 373.50 g/mol
• Exact Mass: 373.23
• IUPAC Name: 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine
• SMILES: Cc1c(-c2[nH]c3ccc(C4CC(N)C4)cc3c2C(C)C)cn2ncnc2c1C
• InChI: InChI=1S/C23H27N5/c1-12(2)21-18-9-15(16-7-17(24)8-16)5-6-20(18)27-22(21)19-10-28-23(25-11-26-28)14(4)13(19)3/h5-6,9-12,16-17,27H,7-8,24H2,1-4H3
• InChIKey: DEMXTDYPKZRCSP-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 72.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.50
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine?

The IUPAC name of 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine (CID 154639415) is 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine.

What is the SMILES notation for 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine?

The canonical SMILES for 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine is Cc1c(-c2[nH]c3ccc(C4CC(N)C4)cc3c2C(C)C)cn2ncnc2c1C.

What is the InChIKey of 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine?

The InChIKey is DEMXTDYPKZRCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-12(2)21-18-9-15(16-7-17(24)8-16)5-6-20(18)27-22(21)19-10-28-23(25-11-26-28)14(4)13(19)3/h5-6,9-12,16-17,27H,7-8,24H2,1-4H3.

What are the key properties of 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine?

3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine has a molecular weight of 373.50 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine is sourced from PubChem (CID 154639415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).