methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate

C32H34N2O3S — CID 70351862

About methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate

methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate (PubChem CID 70351862) has the molecular formula C32H34N2O3S and a molecular weight of 526.70 g/mol. Its IUPAC name is methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate
• PubChem CID: 70351862
• Molecular Formula: C32H34N2O3S
• Molecular Weight: 526.70 g/mol
• Exact Mass: 526.23
• IUPAC Name: methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate
• SMILES: COC(=O)c1sc(-c2ccc(-c3cc4ncccc4o3)cc2)cc1C1=C(C2CCC(C)CC2)CN(C)CC1
• InChI: InChI=1S/C32H34N2O3S/c1-20-6-8-21(9-7-20)26-19-34(2)16-14-24(26)25-17-30(38-31(25)32(35)36-3)23-12-10-22(11-13-23)29-18-27-28(37-29)5-4-15-33-27/h4-5,10-13,15,17-18,20-21H,6-9,14,16,19H2,1-3H3
• InChIKey: WGPLVILZGIDLCR-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 55.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.70
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate?

The IUPAC name of methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate (CID 70351862) is methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate.

What is the SMILES notation for methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate?

The canonical SMILES for methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate is COC(=O)c1sc(-c2ccc(-c3cc4ncccc4o3)cc2)cc1C1=C(C2CCC(C)CC2)CN(C)CC1.

What is the InChIKey of methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate?

The InChIKey is WGPLVILZGIDLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3S/c1-20-6-8-21(9-7-20)26-19-34(2)16-14-24(26)25-17-30(38-31(25)32(35)36-3)23-12-10-22(11-13-23)29-18-27-28(37-29)5-4-15-33-27/h4-5,10-13,15,17-18,20-21H,6-9,14,16,19H2,1-3H3.

What are the key properties of methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate?

methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate has a molecular weight of 526.70 g/mol, XLogP of 7.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate is sourced from PubChem (CID 70351862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).