N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide

C19H25IN8 — CID 119130691

IUPACN'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cn2ccc(C)cc2n1)N1CCN(c2ncccn2)CC1.I
InChIInChI=1S/C19H24N8.HI/c1-15-4-7-27-14-16(24-17(27)12-15)13-23-18(20-2)25-8-10-26(11-9-25)19-21-5-3-6-22-19;/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,23);1H
InChIKeyBPQFNVUGTPHGKQ-UHFFFAOYSA-N
MW492.37 g/mol
LogP1.95
Rot. Bonds3

About N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide

N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 119130691) has the molecular formula C19H25IN8 and a molecular weight of 492.37 g/mol. Its IUPAC name is N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
PubChem CID119130691
Molecular FormulaC19H25IN8
Molecular Weight492.37 g/mol
Exact Mass492.12
IUPAC NameN'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cn2ccc(C)cc2n1)N1CCN(c2ncccn2)CC1.I
InChIInChI=1S/C19H24N8.HI/c1-15-4-7-27-14-16(24-17(27)12-15)13-23-18(20-2)25-8-10-26(11-9-25)19-21-5-3-6-22-19;/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,23);1H
InChIKeyBPQFNVUGTPHGKQ-UHFFFAOYSA-N
XLogP1.95
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130663
4-(3-methoxyphenyl)-N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119131485
N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119154691
N'-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205880
N'-methyl-4-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 119130747
N-[(4-bromophenyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111977350
N-(isoquinolin-1-ylmethyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205033
N'-methyl-4-pyrimidin-2-yl-N-[(4-thiomorpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111206643
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111185647
N-[(3-fluoro-4-methylphenyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206272
N-[(4-methoxy-3-methylphenyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207995
2-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]-N-phenylacetamide
CID 111205580

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 119130691) is N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide is C/N=C(/NCc1cn2ccc(C)cc2n1)N1CCN(c2ncccn2)CC1.I.
What is the InChIKey of N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is BPQFNVUGTPHGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8.HI/c1-15-4-7-27-14-16(24-17(27)12-15)13-23-18(20-2)25-8-10-26(11-9-25)19-21-5-3-6-22-19;/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,23);1H.
What are the key properties of N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 492.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119130691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).