6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C25H20ClN7O4 — CID 77465988

About 6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 77465988) has the molecular formula C25H20ClN7O4 and a molecular weight of 517.93 g/mol. Its IUPAC name is 6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

• Compound Name: 6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
• PubChem CID: 77465988
• Molecular Formula: C25H20ClN7O4
• Molecular Weight: 517.93 g/mol
• Exact Mass: 517.13
• IUPAC Name: 6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
• SMILES: OC1COC2C(Oc3nc4nc(-c5ccc(-c6ccc(-n7nccn7)nc6)cc5)c(Cl)cc4[nH]3)COC12
• InChI: InChI=1S/C25H20ClN7O4/c26-16-9-17-24(32-25(30-17)37-19-12-36-22-18(34)11-35-23(19)22)31-21(16)14-3-1-13(2-4-14)15-5-6-20(27-10-15)33-28-7-8-29-33/h1-10,18-19,22-23,34H,11-12H2,(H,30,31,32)
• InChIKey: NNDDFBATLYWBIR-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 133.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.93
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?

The IUPAC name of 6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 77465988) is 6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

What is the SMILES notation for 6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?

The canonical SMILES for 6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is OC1COC2C(Oc3nc4nc(-c5ccc(-c6ccc(-n7nccn7)nc6)cc5)c(Cl)cc4[nH]3)COC12.

What is the InChIKey of 6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?

The InChIKey is NNDDFBATLYWBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN7O4/c26-16-9-17-24(32-25(30-17)37-19-12-36-22-18(34)11-35-23(19)22)31-21(16)14-3-1-13(2-4-14)15-5-6-20(27-10-15)33-28-7-8-29-33/h1-10,18-19,22-23,34H,11-12H2,(H,30,31,32).

What are the key properties of 6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?

6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 517.93 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-chloro-5-[4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 77465988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).