1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C30H28N4O — CID 118933303

About 1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118933303) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 118933303
• Molecular Formula: C30H28N4O
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.23
• IUPAC Name: 1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cn1nc(C(=O)NCc2cccc3ccccc23)c2c1CCN(Cc1cccc3ccccc13)C2
• InChI: InChI=1S/C30H28N4O/c1-33-28-16-17-34(19-24-13-7-11-22-9-3-5-15-26(22)24)20-27(28)29(32-33)30(35)31-18-23-12-6-10-21-8-2-4-14-25(21)23/h2-15H,16-20H2,1H3,(H,31,35)
• InChIKey: AHOIVYNRGFZDSA-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 118933303) is 1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2cccc3ccccc23)c2c1CCN(Cc1cccc3ccccc13)C2.

What is the InChIKey of 1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is AHOIVYNRGFZDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O/c1-33-28-16-17-34(19-24-13-7-11-22-9-3-5-15-26(22)24)20-27(28)29(32-33)30(35)31-18-23-12-6-10-21-8-2-4-14-25(21)23/h2-15H,16-20H2,1H3,(H,31,35).

What are the key properties of 1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118933303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).