5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

C22H24FN3O2 — CID 53160831

About 5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53160831) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
• PubChem CID: 53160831
• Molecular Formula: C22H24FN3O2
• Molecular Weight: 381.45 g/mol
• Exact Mass: 381.19
• IUPAC Name: 5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
• SMILES: Cc1ccc(CNC(=O)c2cc3c(n2C)CCN(Cc2cccc(F)c2)C3)o1
• InChI: InChI=1S/C22H24FN3O2/c1-15-6-7-19(28-15)12-24-22(27)21-11-17-14-26(9-8-20(17)25(21)2)13-16-4-3-5-18(23)10-16/h3-7,10-11H,8-9,12-14H2,1-2H3,(H,24,27)
• InChIKey: VRBZGORJNAEAEN-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 50.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.45
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The IUPAC name of 5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53160831) is 5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for 5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2cc3c(n2C)CCN(Cc2cccc(F)c2)C3)o1.

What is the InChIKey of 5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The InChIKey is VRBZGORJNAEAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15-6-7-19(28-15)12-24-22(27)21-11-17-14-26(9-8-20(17)25(21)2)13-16-4-3-5-18(23)10-16/h3-7,10-11H,8-9,12-14H2,1-2H3,(H,24,27).

What are the key properties of 5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?

5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53160831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).