2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

C25H23F2N9O2 — CID 134456143

About 2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134456143) has the molecular formula C25H23F2N9O2 and a molecular weight of 519.52 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134456143
• Molecular Formula: C25H23F2N9O2
• Molecular Weight: 519.52 g/mol
• Exact Mass: 519.19
• IUPAC Name: 2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
• SMILES: COc1c(Nc2cc(Nc3ccc4c(n3)CCOC4)nc3nc(C(F)F)[nH]c23)cccc1-c1cnn(C)n1
• InChI: InChI=1S/C25H23F2N9O2/c1-36-28-11-18(35-36)14-4-3-5-16(22(14)37-2)29-17-10-20(32-24-21(17)33-25(34-24)23(26)27)31-19-7-6-13-12-38-9-8-15(13)30-19/h3-7,10-11,23H,8-9,12H2,1-2H3,(H3,29,30,31,32,33,34)
• InChIKey: CTEQXGFNNHIIMN-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 127.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.52
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The IUPAC name of 2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134456143) is 2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

What is the SMILES notation for 2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The canonical SMILES for 2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3ccc4c(n3)CCOC4)nc3nc(C(F)F)[nH]c23)cccc1-c1cnn(C)n1.

What is the InChIKey of 2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The InChIKey is CTEQXGFNNHIIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N9O2/c1-36-28-11-18(35-36)14-4-3-5-16(22(14)37-2)29-17-10-20(32-24-21(17)33-25(34-24)23(26)27)31-19-7-6-13-12-38-9-8-15(13)30-19/h3-7,10-11,23H,8-9,12H2,1-2H3,(H3,29,30,31,32,33,34).

What are the key properties of 2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 519.52 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134456143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).