3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide

C27H27N9O4 — CID 68872548

About 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide

3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 68872548) has the molecular formula C27H27N9O4 and a molecular weight of 541.57 g/mol. Its IUPAC name is 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide
• PubChem CID: 68872548
• Molecular Formula: C27H27N9O4
• Molecular Weight: 541.57 g/mol
• Exact Mass: 541.22
• IUPAC Name: 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide
• SMILES: Cc1cc(-n2c(-c3nonc3N)nc3cnc(Oc4cccc(C(=O)NCCN5CCOCC5)c4)cc32)ccn1
• InChI: InChI=1S/C27H27N9O4/c1-17-13-19(5-6-29-17)36-22-15-23(31-16-21(22)32-26(36)24-25(28)34-40-33-24)39-20-4-2-3-18(14-20)27(37)30-7-8-35-9-11-38-12-10-35/h2-6,13-16H,7-12H2,1H3,(H2,28,34)(H,30,37)
• InChIKey: GFTYVYGZIKQKBB-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 159.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.57
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide?

The IUPAC name of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide (CID 68872548) is 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide.

What is the SMILES notation for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide?

The canonical SMILES for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide is Cc1cc(-n2c(-c3nonc3N)nc3cnc(Oc4cccc(C(=O)NCCN5CCOCC5)c4)cc32)ccn1.

What is the InChIKey of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide?

The InChIKey is GFTYVYGZIKQKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N9O4/c1-17-13-19(5-6-29-17)36-22-15-23(31-16-21(22)32-26(36)24-25(28)34-40-33-24)39-20-4-2-3-18(14-20)27(37)30-7-8-35-9-11-38-12-10-35/h2-6,13-16H,7-12H2,1H3,(H2,28,34)(H,30,37).

What are the key properties of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide?

3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 541.57 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 68872548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).