1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine

C13H17N5 — CID 110029530

IUPAC1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine
SMILESCN(/C(N)=N/Cc1cn2ccccc2n1)C1CC1
InChIInChI=1S/C13H17N5/c1-17(11-5-6-11)13(14)15-8-10-9-18-7-3-2-4-12(18)16-10/h2-4,7,9,11H,5-6,8H2,1H3,(H2,14,15)
InChIKeyYGOQXXZJPCKAAM-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.24
Rot. Bonds3

About 1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine

1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine (PubChem CID 110029530) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine
PubChem CID110029530
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine
SMILESCN(/C(N)=N/Cc1cn2ccccc2n1)C1CC1
InChIInChI=1S/C13H17N5/c1-17(11-5-6-11)13(14)15-8-10-9-18-7-3-2-4-12(18)16-10/h2-4,7,9,11H,5-6,8H2,1H3,(H2,14,15)
InChIKeyYGOQXXZJPCKAAM-UHFFFAOYSA-N
XLogP1.24
TPSA58.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide
CID 111031170
1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 110919308
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide
CID 54992223
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
CID 110913540
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazepan-4-amine
CID 104974401
trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine
CID 99106874
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide
CID 62970898
N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 4701920
N-cyclopropyl-N-fluoroimidazo[1,2-a]pyridin-2-amine
CID 91122576
3-imidazo[1,2-a]pyridin-2-yl-2-methylpropan-1-amine
CID 83877207

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine (CID 110029530) is 1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine is CN(/C(N)=N/Cc1cn2ccccc2n1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine?
The InChIKey is YGOQXXZJPCKAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-17(11-5-6-11)13(14)15-8-10-9-18-7-3-2-4-12(18)16-10/h2-4,7,9,11H,5-6,8H2,1H3,(H2,14,15).
What are the key properties of 1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine?
1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine has a molecular weight of 243.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine is sourced from PubChem (CID 110029530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).