1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine

C19H27N7O — CID 111655438

IUPAC1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CC(C)(O)c1cnn(C)c1)NCCc1cn2ccccc2n1
InChIInChI=1S/C19H27N7O/c1-4-20-18(22-14-19(2,27)15-11-23-25(3)12-15)21-9-8-16-13-26-10-6-5-7-17(26)24-16/h5-7,10-13,27H,4,8-9,14H2,1-3H3,(H2,20,21,22)
InChIKeyADSFPQIQFBDOOP-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.07
Rot. Bonds7

About 1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine

1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine (PubChem CID 111655438) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
PubChem CID111655438
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CC(C)(O)c1cnn(C)c1)NCCc1cn2ccccc2n1
InChIInChI=1S/C19H27N7O/c1-4-20-18(22-14-19(2,27)15-11-23-25(3)12-15)21-9-8-16-13-26-10-6-5-7-17(26)24-16/h5-7,10-13,27H,4,8-9,14H2,1-3H3,(H2,20,21,22)
InChIKeyADSFPQIQFBDOOP-UHFFFAOYSA-N
XLogP1.07
TPSA91.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111663691
1-[2-(4-tert-butylphenyl)ethyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111657045
1-ethyl-2-(2-ethylbutyl)-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111890477
1-(3-anilinopropyl)-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111656950
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111903884
1-[2-(3,5-difluorophenyl)ethyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111656054
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111592394
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111657069
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111342720
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111705670
1-ethyl-3-(2-ethylsulfonylethyl)-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111657097
2-[[ethylamino-(2-imidazo[1,2-a]pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364839

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine (CID 111655438) is 1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine is CCN/C(=N\CC(C)(O)c1cnn(C)c1)NCCc1cn2ccccc2n1.
What is the InChIKey of 1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?
The InChIKey is ADSFPQIQFBDOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-4-20-18(22-14-19(2,27)15-11-23-25(3)12-15)21-9-8-16-13-26-10-6-5-7-17(26)24-16/h5-7,10-13,27H,4,8-9,14H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?
1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine has a molecular weight of 369.47 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111655438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).