2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine

C22H17ClF3N5O3 — CID 138508701

About 2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine

2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 138508701) has the molecular formula C22H17ClF3N5O3 and a molecular weight of 491.86 g/mol. Its IUPAC name is 2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine
• PubChem CID: 138508701
• Molecular Formula: C22H17ClF3N5O3
• Molecular Weight: 491.86 g/mol
• Exact Mass: 491.10
• IUPAC Name: 2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine
• SMILES: FC(F)(F)c1cc(-c2ccc(-c3nc4nc(OC5CO[C@@H]6CCOC56)[nH]c4cc3Cl)cc2)n[nH]1
• InChI: InChI=1S/C22H17ClF3N5O3/c23-12-7-14-20(29-21(27-14)34-16-9-33-15-5-6-32-19(15)16)28-18(12)11-3-1-10(2-4-11)13-8-17(31-30-13)22(24,25)26/h1-4,7-8,15-16,19H,5-6,9H2,(H,30,31)(H,27,28,29)/t15-,16?,19?/m1/s1
• InChIKey: OCRDLTDZNJTYCP-MDCZIUGASA-N
• XLogP: 4.62
• TPSA: 97.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.86
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine (CID 138508701) is 2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1cc(-c2ccc(-c3nc4nc(OC5CO[C@@H]6CCOC56)[nH]c4cc3Cl)cc2)n[nH]1.

What is the InChIKey of 2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine?

The InChIKey is OCRDLTDZNJTYCP-MDCZIUGASA-N. The full InChI is InChI=1S/C22H17ClF3N5O3/c23-12-7-14-20(29-21(27-14)34-16-9-33-15-5-6-32-19(15)16)28-18(12)11-3-1-10(2-4-11)13-8-17(31-30-13)22(24,25)26/h1-4,7-8,15-16,19H,5-6,9H2,(H,30,31)(H,27,28,29)/t15-,16?,19?/m1/s1.

What are the key properties of 2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine?

2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 491.86 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 138508701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).