2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide

C17H28IN7 — CID 119155256

IUPAC2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCc1cccn1C)NC1CCCN(c2cnn(C)c2)C1.I
InChIInChI=1S/C17H27N7.HI/c1-18-17(19-10-15-7-5-8-22(15)2)21-14-6-4-9-24(12-14)16-11-20-23(3)13-16;/h5,7-8,11,13-14H,4,6,9-10,12H2,1-3H3,(H2,18,19,21);1H
InChIKeyWCDGHCRFLUXDBM-UHFFFAOYSA-N
MW457.36 g/mol
LogP1.71
Rot. Bonds4

About 2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide

2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide (PubChem CID 119155256) has the molecular formula C17H28IN7 and a molecular weight of 457.36 g/mol. Its IUPAC name is 2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide
PubChem CID119155256
Molecular FormulaC17H28IN7
Molecular Weight457.36 g/mol
Exact Mass457.15
IUPAC Name2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCc1cccn1C)NC1CCCN(c2cnn(C)c2)C1.I
InChIInChI=1S/C17H27N7.HI/c1-18-17(19-10-15-7-5-8-22(15)2)21-14-6-4-9-24(12-14)16-11-20-23(3)13-16;/h5,7-8,11,13-14H,4,6,9-10,12H2,1-3H3,(H2,18,19,21);1H
InChIKeyWCDGHCRFLUXDBM-UHFFFAOYSA-N
XLogP1.71
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide 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-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119155209
1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide
CID 119140035
1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119140036
2-methyl-1-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
CID 119159867
1-(2-benzylcyclopropyl)-2-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine;hydroiodide
CID 119162401
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide
CID 119159858
1-cyclobutyl-2-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine;hydroiodide
CID 119154152
2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine
CID 119155049
1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
CID 111995821
2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine
CID 119155051
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910000
2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 119155152

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide (CID 119155256) is 2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide is C/N=C(\NCc1cccn1C)NC1CCCN(c2cnn(C)c2)C1.I.
What is the InChIKey of 2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is WCDGHCRFLUXDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7.HI/c1-18-17(19-10-15-7-5-8-22(15)2)21-14-6-4-9-24(12-14)16-11-20-23(3)13-16;/h5,7-8,11,13-14H,4,6,9-10,12H2,1-3H3,(H2,18,19,21);1H.
What are the key properties of 2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide?
2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 457.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119155256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).