5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine

C20H23ClN4O6S — CID 144737566

About 5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine

5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine (PubChem CID 144737566) has the molecular formula C20H23ClN4O6S and a molecular weight of 482.95 g/mol. Its IUPAC name is 5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine.

Molecular Properties

• Compound Name: 5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine
• PubChem CID: 144737566
• Molecular Formula: C20H23ClN4O6S
• Molecular Weight: 482.95 g/mol
• Exact Mass: 482.10
• IUPAC Name: 5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine
• SMILES: CNC.O=Cc1ccc(COc2nc3nc(O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)[nH]c3cc2Cl)s1
• InChI: InChI=1S/C18H16ClN3O6S.C2H7N/c19-10-3-11-16(21-17(10)27-5-9-2-1-8(4-23)29-9)22-18(20-11)28-13-7-26-14-12(24)6-25-15(13)14;1-3-2/h1-4,12-15,24H,5-7H2,(H,20,21,22);3H,1-2H3/t12-,13-,14-,15-;/m1./s1
• InChIKey: GYERBXWYQKTSSK-JODQJINJSA-N
• XLogP: 1.81
• TPSA: 127.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.95
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine?

The IUPAC name of 5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine (CID 144737566) is 5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine.

What is the SMILES notation for 5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine?

The canonical SMILES for 5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine is CNC.O=Cc1ccc(COc2nc3nc(O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)[nH]c3cc2Cl)s1.

What is the InChIKey of 5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine?

The InChIKey is GYERBXWYQKTSSK-JODQJINJSA-N. The full InChI is InChI=1S/C18H16ClN3O6S.C2H7N/c19-10-3-11-16(21-17(10)27-5-9-2-1-8(4-23)29-9)22-18(20-11)28-13-7-26-14-12(24)6-25-15(13)14;1-3-2/h1-4,12-15,24H,5-7H2,(H,20,21,22);3H,1-2H3/t12-,13-,14-,15-;/m1./s1.

What are the key properties of 5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine?

5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine has a molecular weight of 482.95 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine is sourced from PubChem (CID 144737566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).