N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine

C13H18ClN5 — CID 83021792

IUPACN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C13H18ClN5/c1-17-4-6-19(7-5-17)15-8-12-10-18-9-11(14)2-3-13(18)16-12/h2-3,9-10,15H,4-8H2,1H3
InChIKeyFXHHEQFDLWOGED-UHFFFAOYSA-N
MW279.77 g/mol
LogP1.24
Rot. Bonds3

About N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine (PubChem CID 83021792) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine
PubChem CID83021792
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C13H18ClN5/c1-17-4-6-19(7-5-17)15-8-12-10-18-9-11(14)2-3-13(18)16-12/h2-3,9-10,15H,4-8H2,1H3
InChIKeyFXHHEQFDLWOGED-UHFFFAOYSA-N
XLogP1.24
TPSA35.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine (CID 83021792) is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine is CN1CCN(NCc2cn3cc(Cl)ccc3n2)CC1.
What is the InChIKey of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine?
The InChIKey is FXHHEQFDLWOGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-17-4-6-19(7-5-17)15-8-12-10-18-9-11(14)2-3-13(18)16-12/h2-3,9-10,15H,4-8H2,1H3.
What are the key properties of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine?
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine has a molecular weight of 279.77 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83021792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).