[2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol

C23H29ClN4O3 — CID 140914488

IUPAC[2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3cc(CCCCN)c(N4CCOCC4)cc3n2)cc1Cl
InChIInChI=1S/C23H29ClN4O3/c1-30-22-10-17(15-29)18(11-19(22)24)20-14-28-13-16(4-2-3-5-25)21(12-23(28)26-20)27-6-8-31-9-7-27/h10-14,29H,2-9,15,25H2,1H3
InChIKeyYKWQOVDRINAEQW-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.27
Rot. Bonds8

About [2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol

[2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol (PubChem CID 140914488) has the molecular formula C23H29ClN4O3 and a molecular weight of 444.96 g/mol. Its IUPAC name is [2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
PubChem CID140914488
Molecular FormulaC23H29ClN4O3
Molecular Weight444.96 g/mol
Exact Mass444.19
IUPAC Name[2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3cc(CCCCN)c(N4CCOCC4)cc3n2)cc1Cl
InChIInChI=1S/C23H29ClN4O3/c1-30-22-10-17(15-29)18(11-19(22)24)20-14-28-13-16(4-2-3-5-25)21(12-23(28)26-20)27-6-8-31-9-7-27/h10-14,29H,2-9,15,25H2,1H3
InChIKeyYKWQOVDRINAEQW-UHFFFAOYSA-N
XLogP3.27
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol (CID 140914488) is [2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3cc(CCCCN)c(N4CCOCC4)cc3n2)cc1Cl.
What is the InChIKey of [2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The InChIKey is YKWQOVDRINAEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3/c1-30-22-10-17(15-29)18(11-19(22)24)20-14-28-13-16(4-2-3-5-25)21(12-23(28)26-20)27-6-8-31-9-7-27/h10-14,29H,2-9,15,25H2,1H3.
What are the key properties of [2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
[2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol has a molecular weight of 444.96 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).