ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal

C27H35N5O — CID 142199280

About ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal

ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal (PubChem CID 142199280) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal.

Molecular Properties

• Compound Name: ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal
• PubChem CID: 142199280
• Molecular Formula: C27H35N5O
• Molecular Weight: 445.61 g/mol
• Exact Mass: 445.28
• IUPAC Name: ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal
• SMILES: CC.CCC=O.CCNc1nccc(-c2c(-c3ccc(C)cc3)nc3cc(CC)ccn23)n1
• InChI: InChI=1S/C22H23N5.C3H6O.C2H6/c1-4-16-11-13-27-19(14-16)26-20(17-8-6-15(3)7-9-17)21(27)18-10-12-24-22(25-18)23-5-2;1-2-3-4;1-2/h6-14H,4-5H2,1-3H3,(H,23,24,25);3H,2H2,1H3;1-2H3
• InChIKey: XWCICFDBUMIRCX-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.61
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal?

The IUPAC name of ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal (CID 142199280) is ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal.

What is the SMILES notation for ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal?

The canonical SMILES for ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal is CC.CCC=O.CCNc1nccc(-c2c(-c3ccc(C)cc3)nc3cc(CC)ccn23)n1.

What is the InChIKey of ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal?

The InChIKey is XWCICFDBUMIRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5.C3H6O.C2H6/c1-4-16-11-13-27-19(14-16)26-20(17-8-6-15(3)7-9-17)21(27)18-10-12-24-22(25-18)23-5-2;1-2-3-4;1-2/h6-14H,4-5H2,1-3H3,(H,23,24,25);3H,2H2,1H3;1-2H3.

What are the key properties of ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal?

ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal has a molecular weight of 445.61 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal is sourced from PubChem (CID 142199280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).