3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine

C22H29N7O4 — CID 170338279

About 3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine

3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine (PubChem CID 170338279) has the molecular formula C22H29N7O4 and a molecular weight of 455.52 g/mol. Its IUPAC name is 3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine
• PubChem CID: 170338279
• Molecular Formula: C22H29N7O4
• Molecular Weight: 455.52 g/mol
• Exact Mass: 455.23
• IUPAC Name: 3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine
• SMILES: COCOc1cccnc1NC1CCC(Oc2nc(N3CCOCC3)cc3ncnn23)CC1
• InChI: InChI=1S/C22H29N7O4/c1-30-15-32-18-3-2-8-23-21(18)26-16-4-6-17(7-5-16)33-22-27-20(28-9-11-31-12-10-28)13-19-24-14-25-29(19)22/h2-3,8,13-14,16-17H,4-7,9-12,15H2,1H3,(H,23,26)
• InChIKey: LFJSSXIJFHHYCP-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 108.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.52
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine?

The IUPAC name of 3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine (CID 170338279) is 3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine.

What is the SMILES notation for 3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine?

The canonical SMILES for 3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine is COCOc1cccnc1NC1CCC(Oc2nc(N3CCOCC3)cc3ncnn23)CC1.

What is the InChIKey of 3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine?

The InChIKey is LFJSSXIJFHHYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O4/c1-30-15-32-18-3-2-8-23-21(18)26-16-4-6-17(7-5-16)33-22-27-20(28-9-11-31-12-10-28)13-19-24-14-25-29(19)22/h2-3,8,13-14,16-17H,4-7,9-12,15H2,1H3,(H,23,26).

What are the key properties of 3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine?

3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine has a molecular weight of 455.52 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine is sourced from PubChem (CID 170338279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).