4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine

C24H28N8O — CID 139450018

About 4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine

4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine (PubChem CID 139450018) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
• PubChem CID: 139450018
• Molecular Formula: C24H28N8O
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.24
• IUPAC Name: 4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
• SMILES: CC(C)Oc1ccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCCCC3)n2)cn1
• InChI: InChI=1S/C24H28N8O/c1-17(2)33-23-7-6-19(16-26-23)28-24-29-20(15-22(30-24)31-10-4-3-5-11-31)27-18-8-12-32-13-9-25-21(32)14-18/h6-9,12-17H,3-5,10-11H2,1-2H3,(H2,27,28,29,30)
• InChIKey: MXEYQHZMNXPDII-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 92.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine?

The IUPAC name of 4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine (CID 139450018) is 4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine is CC(C)Oc1ccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCCCC3)n2)cn1.

What is the InChIKey of 4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine?

The InChIKey is MXEYQHZMNXPDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c1-17(2)33-23-7-6-19(16-26-23)28-24-29-20(15-22(30-24)31-10-4-3-5-11-31)27-18-8-12-32-13-9-25-21(32)14-18/h6-9,12-17H,3-5,10-11H2,1-2H3,(H2,27,28,29,30).

What are the key properties of 4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine?

4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine has a molecular weight of 444.54 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 139450018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).