5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C47H64N8O5 — CID 153362855

About 5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 153362855) has the molecular formula C47H64N8O5 and a molecular weight of 821.08 g/mol. Its IUPAC name is 5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 153362855
• Molecular Formula: C47H64N8O5
• Molecular Weight: 821.08 g/mol
• Exact Mass: 820.50
• IUPAC Name: 5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: CNc1cccc(-c2cccc(NC(=O)c3nc4c(n3C)CCN(C3CCOCC3)C4)c2C)c1C.CO.Cn1c(C=O)nc2c1CCN(CCC13CCC(C=O)(CC1)C3)C2
• InChI: InChI=1S/C28H35N5O2.C18H25N3O2.CH4O/c1-18-21(7-5-9-23(18)29-3)22-8-6-10-24(19(22)2)31-28(34)27-30-25-17-33(14-11-26(25)32(27)4)20-12-15-35-16-13-20;1-20-15-2-8-21(10-14(15)19-16(20)11-22)9-7-17-3-5-18(12-17,13-23)6-4-17;1-2/h5-10,20,29H,11-17H2,1-4H3,(H,31,34);11,13H,2-10,12H2,1H3;2H,1H3
• InChIKey: SETGJDRPZFKLPP-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 146.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	821.08
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of 5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 153362855) is 5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for 5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is CNc1cccc(-c2cccc(NC(=O)c3nc4c(n3C)CCN(C3CCOCC3)C4)c2C)c1C.CO.Cn1c(C=O)nc2c1CCN(CCC13CCC(C=O)(CC1)C3)C2.

What is the InChIKey of 5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is SETGJDRPZFKLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2.C18H25N3O2.CH4O/c1-18-21(7-5-9-23(18)29-3)22-8-6-10-24(19(22)2)31-28(34)27-30-25-17-33(14-11-26(25)32(27)4)20-12-15-35-16-13-20;1-20-15-2-8-21(10-14(15)19-16(20)11-22)9-7-17-3-5-18(12-17,13-23)6-4-17;1-2/h5-10,20,29H,11-17H2,1-4H3,(H,31,34);11,13H,2-10,12H2,1H3;2H,1H3.

What are the key properties of 5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 821.08 g/mol, XLogP of 6.27, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol;1-methyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 153362855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).