N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide

C29H42N8O — CID 142301151

About N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide

N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 142301151) has the molecular formula C29H42N8O and a molecular weight of 518.71 g/mol. Its IUPAC name is N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

• Compound Name: N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide
• PubChem CID: 142301151
• Molecular Formula: C29H42N8O
• Molecular Weight: 518.71 g/mol
• Exact Mass: 518.35
• IUPAC Name: N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide
• SMILES: [H]/N=C/c1c(N2CCc3c(c(C)nn3CC34CCC(NC(=O)CN5CCCC5)(CC3)C4)C2)cc(C)nc1NC
• InChI: InChI=1S/C29H42N8O/c1-20-14-25(22(15-30)27(31-3)32-20)36-13-6-24-23(16-36)21(2)34-37(24)19-28-7-9-29(18-28,10-8-28)33-26(38)17-35-11-4-5-12-35/h14-15,30H,4-13,16-19H2,1-3H3,(H,31,32)(H,33,38)/b30-15+
• InChIKey: BCICIOPUHPCPAW-FJEPWZHXSA-N
• XLogP: 3.41
• TPSA: 102.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.71
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide?

The IUPAC name of N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide (CID 142301151) is N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide.

What is the SMILES notation for N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide?

The canonical SMILES for N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide is [H]/N=C/c1c(N2CCc3c(c(C)nn3CC34CCC(NC(=O)CN5CCCC5)(CC3)C4)C2)cc(C)nc1NC.

What is the InChIKey of N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide?

The InChIKey is BCICIOPUHPCPAW-FJEPWZHXSA-N. The full InChI is InChI=1S/C29H42N8O/c1-20-14-25(22(15-30)27(31-3)32-20)36-13-6-24-23(16-36)21(2)34-37(24)19-28-7-9-29(18-28,10-8-28)33-26(38)17-35-11-4-5-12-35/h14-15,30H,4-13,16-19H2,1-3H3,(H,31,32)(H,33,38)/b30-15+.

What are the key properties of N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide?

N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 518.71 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[5-[3-methanimidoyl-6-methyl-2-(methylamino)-4-pyridinyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.1]heptanyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 142301151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).