N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine

C28H29N3S — CID 11626330

About N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine

N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 11626330) has the molecular formula C28H29N3S and a molecular weight of 439.63 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
• PubChem CID: 11626330
• Molecular Formula: C28H29N3S
• Molecular Weight: 439.63 g/mol
• Exact Mass: 439.21
• IUPAC Name: N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
• SMILES: Cc1cc(C)n2c(NCC3CCCCC3)c(-c3ccc(C#Cc4ccccc4)s3)nc2c1
• InChI: InChI=1S/C28H29N3S/c1-20-17-21(2)31-26(18-20)30-27(28(31)29-19-23-11-7-4-8-12-23)25-16-15-24(32-25)14-13-22-9-5-3-6-10-22/h3,5-6,9-10,15-18,23,29H,4,7-8,11-12,19H2,1-2H3
• InChIKey: NKZSRTNFISYRLV-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 29.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.63
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?

The IUPAC name of N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine (CID 11626330) is N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine.

What is the SMILES notation for N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?

The canonical SMILES for N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine is Cc1cc(C)n2c(NCC3CCCCC3)c(-c3ccc(C#Cc4ccccc4)s3)nc2c1.

What is the InChIKey of N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?

The InChIKey is NKZSRTNFISYRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3S/c1-20-17-21(2)31-26(18-20)30-27(28(31)29-19-23-11-7-4-8-12-23)25-16-15-24(32-25)14-13-22-9-5-3-6-10-22/h3,5-6,9-10,15-18,23,29H,4,7-8,11-12,19H2,1-2H3.

What are the key properties of N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?

N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 439.63 g/mol, XLogP of 7.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 11626330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).