8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine

C28H23N3S — CID 69317341

IUPAC8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1cccn2c(NC(C)c3ccccc3)c(-c3ccc(C#Cc4ccccc4)s3)nc12
InChIInChI=1S/C28H23N3S/c1-20-10-9-19-31-27(20)30-26(28(31)29-21(2)23-13-7-4-8-14-23)25-18-17-24(32-25)16-15-22-11-5-3-6-12-22/h3-14,17-19,21,29H,1-2H3
InChIKeyJCJHPPOYBBIVOB-UHFFFAOYSA-N
MW433.58 g/mol
LogP6.94
Rot. Bonds4

About 8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine

8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 69317341) has the molecular formula C28H23N3S and a molecular weight of 433.58 g/mol. Its IUPAC name is 8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID69317341
Molecular FormulaC28H23N3S
Molecular Weight433.58 g/mol
Exact Mass433.16
IUPAC Name8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1cccn2c(NC(C)c3ccccc3)c(-c3ccc(C#Cc4ccccc4)s3)nc12
InChIInChI=1S/C28H23N3S/c1-20-10-9-19-31-27(20)30-26(28(31)29-21(2)23-13-7-4-8-14-23)25-18-17-24(32-25)16-15-22-11-5-3-6-12-22/h3-14,17-19,21,29H,1-2H3
InChIKeyJCJHPPOYBBIVOB-UHFFFAOYSA-N
XLogP6.94
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine (CID 69317341) is 8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine is Cc1cccn2c(NC(C)c3ccccc3)c(-c3ccc(C#Cc4ccccc4)s3)nc12.
What is the InChIKey of 8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is JCJHPPOYBBIVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3S/c1-20-10-9-19-31-27(20)30-26(28(31)29-21(2)23-13-7-4-8-14-23)25-18-17-24(32-25)16-15-22-11-5-3-6-12-22/h3-14,17-19,21,29H,1-2H3.
What are the key properties of 8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?
8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 433.58 g/mol, XLogP of 6.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 69317341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).