5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine

C25H23F2N9O — CID 134455544

About 5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine

5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455544) has the molecular formula C25H23F2N9O and a molecular weight of 503.52 g/mol. Its IUPAC name is 5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134455544
• Molecular Formula: C25H23F2N9O
• Molecular Weight: 503.52 g/mol
• Exact Mass: 503.20
• IUPAC Name: 5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
• SMILES: COc1c(Nc2cc(Nc3ccc4c(n3)C(F)(F)CC4)nc3nc(C)[nH]c23)cccc1-c1cnn(C)n1
• InChI: InChI=1S/C25H23F2N9O/c1-13-29-21-17(31-16-6-4-5-15(22(16)37-3)18-12-28-36(2)35-18)11-20(34-24(21)30-13)32-19-8-7-14-9-10-25(26,27)23(14)33-19/h4-8,11-12H,9-10H2,1-3H3,(H3,29,30,31,32,33,34)
• InChIKey: PEEHQHMIORDQCE-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 118.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.52
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The IUPAC name of 5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455544) is 5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine.

What is the SMILES notation for 5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The canonical SMILES for 5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3ccc4c(n3)C(F)(F)CC4)nc3nc(C)[nH]c23)cccc1-c1cnn(C)n1.

What is the InChIKey of 5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The InChIKey is PEEHQHMIORDQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N9O/c1-13-29-21-17(31-16-6-4-5-15(22(16)37-3)18-12-28-36(2)35-18)11-20(34-24(21)30-13)32-19-8-7-14-9-10-25(26,27)23(14)33-19/h4-8,11-12H,9-10H2,1-3H3,(H3,29,30,31,32,33,34).

What are the key properties of 5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?

5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 503.52 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).