1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine

C19H27N7 — CID 111783819

About 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine (PubChem CID 111783819) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine.

Molecular Properties

• Compound Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
• PubChem CID: 111783819
• Molecular Formula: C19H27N7
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.23
• IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
• SMILES: C/N=C(\NCCCn1nc(C)cc1C)NCc1cn2c(C)cccc2n1
• InChI: InChI=1S/C19H27N7/c1-14-11-16(3)26(24-14)10-6-9-21-19(20-4)22-12-17-13-25-15(2)7-5-8-18(25)23-17/h5,7-8,11,13H,6,9-10,12H2,1-4H3,(H2,20,21,22)
• InChIKey: WXDQSZLYHUMTMS-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 71.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?

The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine (CID 111783819) is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine.

What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?

The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine is C/N=C(\NCCCn1nc(C)cc1C)NCc1cn2c(C)cccc2n1.

What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?

The InChIKey is WXDQSZLYHUMTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-14-11-16(3)26(24-14)10-6-9-21-19(20-4)22-12-17-13-25-15(2)7-5-8-18(25)23-17/h5,7-8,11,13H,6,9-10,12H2,1-4H3,(H2,20,21,22).

What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine has a molecular weight of 353.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine is sourced from PubChem (CID 111783819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).