N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide

C16H17N7 — CID 143465308

IUPACN'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide
SMILESC=C/N=C(/Nc1cccnc1)c1ncc(-c2cnn(C)c2)n1C
InChIInChI=1S/C16H17N7/c1-4-18-15(21-13-6-5-7-17-9-13)16-19-10-14(23(16)3)12-8-20-22(2)11-12/h4-11H,1H2,2-3H3,(H,18,21)
InChIKeyADLBDAZESBHJCE-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.22
Rot. Bonds4

About N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide

N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide (PubChem CID 143465308) has the molecular formula C16H17N7 and a molecular weight of 307.36 g/mol. Its IUPAC name is N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide.

Molecular Properties

Compound NameN'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide
PubChem CID143465308
Molecular FormulaC16H17N7
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC NameN'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide
SMILESC=C/N=C(/Nc1cccnc1)c1ncc(-c2cnn(C)c2)n1C
InChIInChI=1S/C16H17N7/c1-4-18-15(21-13-6-5-7-17-9-13)16-19-10-14(23(16)3)12-8-20-22(2)11-12/h4-11H,1H2,2-3H3,(H,18,21)
InChIKeyADLBDAZESBHJCE-UHFFFAOYSA-N
XLogP2.22
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.22
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'}

Analyze N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide 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-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine
CID 90468214
5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71735384
N-(1-methylpyrazol-4-yl)pyridin-3-amine
CID 82537519
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-carboxamide
CID 122184262
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-4-methyl-N-pyridin-3-ylbenzamide
CID 175216460
3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 157462785
N-(3-methylbut-2-en-2-yl)pyridin-3-amine
CID 58929048
N-methyl-3-(1-methylpyrazol-4-yl)aniline
CID 106505763
(5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one
CID 143955611
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-pyridin-3-ylurea
CID 128996441
8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbothioic S-acid
CID 143465268

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide?
The IUPAC name of N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide (CID 143465308) is N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide.
What is the SMILES notation for N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide?
The canonical SMILES for N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide is C=C/N=C(/Nc1cccnc1)c1ncc(-c2cnn(C)c2)n1C.
What is the InChIKey of N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide?
The InChIKey is ADLBDAZESBHJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7/c1-4-18-15(21-13-6-5-7-17-9-13)16-19-10-14(23(16)3)12-8-20-22(2)11-12/h4-11H,1H2,2-3H3,(H,18,21).
What are the key properties of N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide?
N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide has a molecular weight of 307.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-1-methyl-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazole-2-carboximidamide is sourced from PubChem (CID 143465308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).