4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline

C23H24N6 — CID 24914634

About 4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline

4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline (PubChem CID 24914634) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline.

Molecular Properties

• Compound Name: 4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
• PubChem CID: 24914634
• Molecular Formula: C23H24N6
• Molecular Weight: 384.49 g/mol
• Exact Mass: 384.21
• IUPAC Name: 4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
• SMILES: Cc1ccc2nc(C)c(CN3CCc4nc(-c5ccc(N)cc5)ncc4C3)n2c1
• InChI: InChI=1S/C23H24N6/c1-15-3-8-22-26-16(2)21(29(22)12-15)14-28-10-9-20-18(13-28)11-25-23(27-20)17-4-6-19(24)7-5-17/h3-8,11-12H,9-10,13-14,24H2,1-2H3
• InChIKey: ROAATADTSDUNCS-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 72.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.49
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline?

The IUPAC name of 4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline (CID 24914634) is 4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline.

What is the SMILES notation for 4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline?

The canonical SMILES for 4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline is Cc1ccc2nc(C)c(CN3CCc4nc(-c5ccc(N)cc5)ncc4C3)n2c1.

What is the InChIKey of 4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline?

The InChIKey is ROAATADTSDUNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-15-3-8-22-26-16(2)21(29(22)12-15)14-28-10-9-20-18(13-28)11-25-23(27-20)17-4-6-19(24)7-5-17/h3-8,11-12H,9-10,13-14,24H2,1-2H3.

What are the key properties of 4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline?

4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline has a molecular weight of 384.49 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline is sourced from PubChem (CID 24914634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).