4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine

C23H24FN7 — CID 142408387

About 4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine

4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine (PubChem CID 142408387) has the molecular formula C23H24FN7 and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
• PubChem CID: 142408387
• Molecular Formula: C23H24FN7
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.21
• IUPAC Name: 4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
• SMILES: CNC1CCC(Nc2ncc(F)c(-c3cnc4ccc(-c5cccnc5)cn34)n2)CC1
• InChI: InChI=1S/C23H24FN7/c1-25-17-5-7-18(8-6-17)29-23-28-12-19(24)22(30-23)20-13-27-21-9-4-16(14-31(20)21)15-3-2-10-26-11-15/h2-4,9-14,17-18,25H,5-8H2,1H3,(H,28,29,30)
• InChIKey: PLNMZKBWUVCSJT-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 80.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.49
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine?

The IUPAC name of 4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine (CID 142408387) is 4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine.

What is the SMILES notation for 4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine?

The canonical SMILES for 4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine is CNC1CCC(Nc2ncc(F)c(-c3cnc4ccc(-c5cccnc5)cn34)n2)CC1.

What is the InChIKey of 4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine?

The InChIKey is PLNMZKBWUVCSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7/c1-25-17-5-7-18(8-6-17)29-23-28-12-19(24)22(30-23)20-13-27-21-9-4-16(14-31(20)21)15-3-2-10-26-11-15/h2-4,9-14,17-18,25H,5-8H2,1H3,(H,28,29,30).

What are the key properties of 4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine?

4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine has a molecular weight of 417.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 142408387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).