methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate

C16H22N4O2 — CID 117135564

IUPACmethyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(CCN3CCN(C)CC3)nc2c1
InChIInChI=1S/C16H22N4O2/c1-18-7-9-19(10-8-18)5-4-14-12-20-6-3-13(16(21)22-2)11-15(20)17-14/h3,6,11-12H,4-5,7-10H2,1-2H3
InChIKeyKZWQIWAKLKWNQU-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.91
Rot. Bonds4

About methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate

methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 117135564) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID117135564
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Namemethyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(CCN3CCN(C)CC3)nc2c1
InChIInChI=1S/C16H22N4O2/c1-18-7-9-19(10-8-18)5-4-14-12-20-6-3-13(16(21)22-2)11-15(20)17-14/h3,6,11-12H,4-5,7-10H2,1-2H3
InChIKeyKZWQIWAKLKWNQU-UHFFFAOYSA-N
XLogP0.91
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256424
methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117133420
methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117133970
methyl 2-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257939
methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117257323
methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256448
methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256440
methyl 2-(1-ethylpiperidin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117134360
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 134011276
methyl 3-[3-(4-methylpiperazin-1-yl)propyl]benzoate
CID 170862443
methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137830
methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 155399381

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate (CID 117135564) is methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2cc(CCN3CCN(C)CC3)nc2c1.
What is the InChIKey of methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is KZWQIWAKLKWNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-18-7-9-19(10-8-18)5-4-14-12-20-6-3-13(16(21)22-2)11-15(20)17-14/h3,6,11-12H,4-5,7-10H2,1-2H3.
What are the key properties of methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate?
methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 302.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 117135564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).