1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine

C19H23N5 — CID 122098596

IUPAC1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine
SMILESCCC(C)c1ccc(N/C(N)=N/Cc2ccc3cncn3c2)cc1
InChIInChI=1S/C19H23N5/c1-3-14(2)16-5-7-17(8-6-16)23-19(20)22-10-15-4-9-18-11-21-13-24(18)12-15/h4-9,11-14H,3,10H2,1-2H3,(H3,20,22,23)
InChIKeySGONVASLEMJVOD-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.77
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine

1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine (PubChem CID 122098596) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine
PubChem CID122098596
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine
SMILESCCC(C)c1ccc(N/C(N)=N/Cc2ccc3cncn3c2)cc1
InChIInChI=1S/C19H23N5/c1-3-14(2)16-5-7-17(8-6-16)23-19(20)22-10-15-4-9-18-11-21-13-24(18)12-15/h4-9,11-14H,3,10H2,1-2H3,(H3,20,22,23)
InChIKeySGONVASLEMJVOD-UHFFFAOYSA-N
XLogP3.77
TPSA67.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine
CID 122098600
1-(4-butan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111065253
1-(4-butan-2-ylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide
CID 120603191
1-(4-butan-2-ylphenyl)-2-ethylguanidine
CID 111023947
1-(4-butan-2-ylphenyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111063303
1-(4-butan-2-ylphenyl)-2-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111063065
1-(4-butan-2-ylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 119121251
N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide
CID 111086193
1-(4-butan-2-ylphenyl)-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111023000
1-(4-butan-2-ylphenyl)-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111048998
2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111092938
1-(4-butan-2-ylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 120913691

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine (CID 122098596) is 1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine is CCC(C)c1ccc(N/C(N)=N/Cc2ccc3cncn3c2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine?
The InChIKey is SGONVASLEMJVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-3-14(2)16-5-7-17(8-6-16)23-19(20)22-10-15-4-9-18-11-21-13-24(18)12-15/h4-9,11-14H,3,10H2,1-2H3,(H3,20,22,23).
What are the key properties of 1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine?
1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine has a molecular weight of 321.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine is sourced from PubChem (CID 122098596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).