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

C23H26N8O2 — CID 139450029

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

4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine (PubChem CID 139450029) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-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-morpholin-4-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
• PubChem CID: 139450029
• Molecular Formula: C23H26N8O2
• Molecular Weight: 446.52 g/mol
• Exact Mass: 446.22
• IUPAC Name: 4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
• SMILES: CC(C)Oc1ccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)cn1
• InChI: InChI=1S/C23H26N8O2/c1-16(2)33-22-4-3-18(15-25-22)27-23-28-19(14-21(29-23)31-9-11-32-12-10-31)26-17-5-7-30-8-6-24-20(30)13-17/h3-8,13-16H,9-12H2,1-2H3,(H2,26,27,28,29)
• InChIKey: SBEUSUJBNHSNLP-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 101.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.52
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-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-morpholin-4-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine (CID 139450029) is 4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-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-morpholin-4-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-morpholin-4-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine is CC(C)Oc1ccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)cn1.

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

The InChIKey is SBEUSUJBNHSNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-16(2)33-22-4-3-18(15-25-22)27-23-28-19(14-21(29-23)31-9-11-32-12-10-31)26-17-5-7-30-8-6-24-20(30)13-17/h3-8,13-16H,9-12H2,1-2H3,(H2,26,27,28,29).

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

4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine has a molecular weight of 446.52 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 139450029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).