4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C13H18Cl2N4O — CID 120962540

IUPAC4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1cnc2ccc(Cl)cn12
InChIInChI=1S/C13H17ClN4O.ClH/c14-10-1-2-13-17-6-11(18(13)8-10)5-15-3-9-4-16-7-12(9)19;/h1-2,6,8-9,12,15-16,19H,3-5,7H2;1H
InChIKeyYMKNOPHGCDGZMX-UHFFFAOYSA-N
MW317.22 g/mol
LogP1.08
Rot. Bonds4

About 4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962540) has the molecular formula C13H18Cl2N4O and a molecular weight of 317.22 g/mol. Its IUPAC name is 4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962540
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.22 g/mol
Exact Mass316.09
IUPAC Name4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1cnc2ccc(Cl)cn12
InChIInChI=1S/C13H17ClN4O.ClH/c14-10-1-2-13-17-6-11(18(13)8-10)5-15-3-9-4-16-7-12(9)19;/h1-2,6,8-9,12,15-16,19H,3-5,7H2;1H
InChIKeyYMKNOPHGCDGZMX-UHFFFAOYSA-N
XLogP1.08
TPSA61.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride with MolForge

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Related Compounds

4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961768
4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962517
N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
CID 115641531
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962643
4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961758
4-[[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961800
4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961872
N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine
CID 166355584
4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962086
1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947316
4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962338

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962540) is 4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1CNCC1CNCc1cnc2ccc(Cl)cn12.
What is the InChIKey of 4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is YMKNOPHGCDGZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O.ClH/c14-10-1-2-13-17-6-11(18(13)8-10)5-15-3-9-4-16-7-12(9)19;/h1-2,6,8-9,12,15-16,19H,3-5,7H2;1H.
What are the key properties of 4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 317.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).