[2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol

C18H21ClN4O2 — CID 140914395

IUPAC[2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N(C)CCN)cc3n2)cc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-22(6-4-20)13-3-5-23-10-16(21-18(23)8-13)14-9-15(19)17(25-2)7-12(14)11-24/h3,5,7-10,24H,4,6,11,20H2,1-2H3
InChIKeyBVMSMWWUOWHFNJ-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.55
Rot. Bonds6

About [2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol

[2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol (PubChem CID 140914395) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is [2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
PubChem CID140914395
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name[2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N(C)CCN)cc3n2)cc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-22(6-4-20)13-3-5-23-10-16(21-18(23)8-13)14-9-15(19)17(25-2)7-12(14)11-24/h3,5,7-10,24H,4,6,11,20H2,1-2H3
InChIKeyBVMSMWWUOWHFNJ-UHFFFAOYSA-N
XLogP2.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol (CID 140914395) is [2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N(C)CCN)cc3n2)cc1Cl.
What is the InChIKey of [2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The InChIKey is BVMSMWWUOWHFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-22(6-4-20)13-3-5-23-10-16(21-18(23)8-13)14-9-15(19)17(25-2)7-12(14)11-24/h3,5,7-10,24H,4,6,11,20H2,1-2H3.
What are the key properties of [2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
[2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol has a molecular weight of 360.85 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[7-[2-aminoethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).