3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine

C29H31N5 — CID 138715309

About 3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine

3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine (PubChem CID 138715309) has the molecular formula C29H31N5 and a molecular weight of 449.60 g/mol. Its IUPAC name is 3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

• Compound Name: 3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine
• PubChem CID: 138715309
• Molecular Formula: C29H31N5
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.26
• IUPAC Name: 3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine
• SMILES: CCC(C)c1cnc2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(C4CC4)c3)cn12
• InChI: InChI=1S/C29H31N5/c1-3-19(2)28-17-33-29-27(31-11-10-21-16-32-26-7-5-4-6-25(21)26)13-24(18-34(28)29)23-12-22(14-30-15-23)20-8-9-20/h4-7,12-20,31-32H,3,8-11H2,1-2H3
• InChIKey: DHKHTGDLXZCWQD-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 58.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine?

The IUPAC name of 3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine (CID 138715309) is 3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine.

What is the SMILES notation for 3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine?

The canonical SMILES for 3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine is CCC(C)c1cnc2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(C4CC4)c3)cn12.

What is the InChIKey of 3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine?

The InChIKey is DHKHTGDLXZCWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5/c1-3-19(2)28-17-33-29-27(31-11-10-21-16-32-26-7-5-4-6-25(21)26)13-24(18-34(28)29)23-12-22(14-30-15-23)20-8-9-20/h4-7,12-20,31-32H,3,8-11H2,1-2H3.

What are the key properties of 3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine?

3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine has a molecular weight of 449.60 g/mol, XLogP of 6.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-butan-2-yl-6-(5-cyclopropyl-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 138715309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).