acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene

C23H21Cl2F2N3O5 — CID 144737669

About acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene

acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene (PubChem CID 144737669) has the molecular formula C23H21Cl2F2N3O5 and a molecular weight of 528.34 g/mol. Its IUPAC name is acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene.

Molecular Properties

• Compound Name: acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene
• PubChem CID: 144737669
• Molecular Formula: C23H21Cl2F2N3O5
• Molecular Weight: 528.34 g/mol
• Exact Mass: 527.08
• IUPAC Name: acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene
• SMILES: C#C.C=C.O[C@@H]1COC2C1OC[C@H]2Oc1nc2nc(OCc3c(F)cc(Cl)cc3F)c(Cl)cc2[nH]1
• InChI: InChI=1S/C19H15Cl2F2N3O5.C2H4.C2H2/c20-7-1-10(22)8(11(23)2-7)4-30-18-9(21)3-12-17(25-18)26-19(24-12)31-14-6-29-15-13(27)5-28-16(14)15;2*1-2/h1-3,13-16,27H,4-6H2,(H,24,25,26);1-2H2;1-2H/t13-,14-,15?,16?;;/m1../s1
• InChIKey: DHQXPNLLQIJJTB-GENBYUFGSA-N
• XLogP: 4.08
• TPSA: 98.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.34
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene?

The IUPAC name of acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene (CID 144737669) is acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene.

What is the SMILES notation for acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene?

The canonical SMILES for acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene is C#C.C=C.O[C@@H]1COC2C1OC[C@H]2Oc1nc2nc(OCc3c(F)cc(Cl)cc3F)c(Cl)cc2[nH]1.

What is the InChIKey of acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene?

The InChIKey is DHQXPNLLQIJJTB-GENBYUFGSA-N. The full InChI is InChI=1S/C19H15Cl2F2N3O5.C2H4.C2H2/c20-7-1-10(22)8(11(23)2-7)4-30-18-9(21)3-12-17(25-18)26-19(24-12)31-14-6-29-15-13(27)5-28-16(14)15;2*1-2/h1-3,13-16,27H,4-6H2,(H,24,25,26);1-2H2;1-2H/t13-,14-,15?,16?;;/m1../s1.

What are the key properties of acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene?

acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene has a molecular weight of 528.34 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene is sourced from PubChem (CID 144737669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).