7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine

C25H26N10O2 — CID 134456374

About 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine

7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134456374) has the molecular formula C25H26N10O2 and a molecular weight of 498.55 g/mol. Its IUPAC name is 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134456374
• Molecular Formula: C25H26N10O2
• Molecular Weight: 498.55 g/mol
• Exact Mass: 498.22
• IUPAC Name: 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
• SMILES: COc1c(Nc2cc(Nc3ccc(N4CCOCC4)cn3)nc3nc[nH]c23)cccc1-c1ncn(C)n1
• InChI: InChI=1S/C25H26N10O2/c1-34-15-29-24(33-34)17-4-3-5-18(23(17)36-2)30-19-12-21(32-25-22(19)27-14-28-25)31-20-7-6-16(13-26-20)35-8-10-37-11-9-35/h3-7,12-15H,8-11H2,1-2H3,(H3,26,27,28,30,31,32)
• InChIKey: XMJHVJMNGDHQME-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 130.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.55
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The IUPAC name of 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134456374) is 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine.

What is the SMILES notation for 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The canonical SMILES for 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3ccc(N4CCOCC4)cn3)nc3nc[nH]c23)cccc1-c1ncn(C)n1.

What is the InChIKey of 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The InChIKey is XMJHVJMNGDHQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N10O2/c1-34-15-29-24(33-34)17-4-3-5-18(23(17)36-2)30-19-12-21(32-25-22(19)27-14-28-25)31-20-7-6-16(13-26-20)35-8-10-37-11-9-35/h3-7,12-15H,8-11H2,1-2H3,(H3,26,27,28,30,31,32).

What are the key properties of 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?

7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 498.55 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134456374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).