[2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol

C18H21ClN4O3 — CID 140914368

IUPAC[2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3cc(NCCN)c(CO)cc3n2)cc1Cl
InChIInChI=1S/C18H21ClN4O3/c1-26-17-4-11(9-24)13(6-14(17)19)16-8-23-7-15(21-3-2-20)12(10-25)5-18(23)22-16/h4-8,21,24-25H,2-3,9-10,20H2,1H3
InChIKeyZHBDXQPBHOAINO-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.02
Rot. Bonds7

About [2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol

[2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol (PubChem CID 140914368) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is [2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
PubChem CID140914368
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name[2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3cc(NCCN)c(CO)cc3n2)cc1Cl
InChIInChI=1S/C18H21ClN4O3/c1-26-17-4-11(9-24)13(6-14(17)19)16-8-23-7-15(21-3-2-20)12(10-25)5-18(23)22-16/h4-8,21,24-25H,2-3,9-10,20H2,1H3
InChIKeyZHBDXQPBHOAINO-UHFFFAOYSA-N
XLogP2.02
TPSA105.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol (CID 140914368) is [2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3cc(NCCN)c(CO)cc3n2)cc1Cl.
What is the InChIKey of [2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The InChIKey is ZHBDXQPBHOAINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-26-17-4-11(9-24)13(6-14(17)19)16-8-23-7-15(21-3-2-20)12(10-25)5-18(23)22-16/h4-8,21,24-25H,2-3,9-10,20H2,1H3.
What are the key properties of [2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
[2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol has a molecular weight of 376.84 g/mol, XLogP of 2.02, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(2-aminoethylamino)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).