4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol

C15H20ClN3O — CID 111456993

IUPAC4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol
SMILESOCCCCN(Cc1cn2cc(Cl)ccc2n1)C1CC1
InChIInChI=1S/C15H20ClN3O/c16-12-3-6-15-17-13(11-19(15)9-12)10-18(14-4-5-14)7-1-2-8-20/h3,6,9,11,14,20H,1-2,4-5,7-8,10H2
InChIKeyPHYVEAUGCQXEBX-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.72
Rot. Bonds7

About 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol

4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol (PubChem CID 111456993) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol
PubChem CID111456993
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol
SMILESOCCCCN(Cc1cn2cc(Cl)ccc2n1)C1CC1
InChIInChI=1S/C15H20ClN3O/c16-12-3-6-15-17-13(11-19(15)9-12)10-18(14-4-5-14)7-1-2-8-20/h3,6,9,11,14,20H,1-2,4-5,7-8,10H2
InChIKeyPHYVEAUGCQXEBX-UHFFFAOYSA-N
XLogP2.72
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-2-[[cyclopropyl(4-hydroxybutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 111431994
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-(oxan-4-yl)amino]acetamide
CID 167944913
5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]pentan-1-ol
CID 107303015
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol
CID 62917347
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 78912858
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopropylpropan-1-amine
CID 115639536
2-[2,3-dihydro-1H-inden-1-yl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]ethanol
CID 111333542
4-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol
CID 111457010
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid
CID 55096845
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 63310199
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]cyclohexanamine
CID 78912632
7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 107203975

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol?
The IUPAC name of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol (CID 111456993) is 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol.
What is the SMILES notation for 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol?
The canonical SMILES for 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol is OCCCCN(Cc1cn2cc(Cl)ccc2n1)C1CC1.
What is the InChIKey of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol?
The InChIKey is PHYVEAUGCQXEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-12-3-6-15-17-13(11-19(15)9-12)10-18(14-4-5-14)7-1-2-8-20/h3,6,9,11,14,20H,1-2,4-5,7-8,10H2.
What are the key properties of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol?
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol has a molecular weight of 293.80 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-cyclopropylamino]butan-1-ol is sourced from PubChem (CID 111456993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).