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

C20H21BrClN3O2 — CID 159911475

IUPAC[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3cc(Br)c(N4CCCCC4)cc3n2)cc1Cl
InChIInChI=1S/C20H21BrClN3O2/c1-27-19-7-13(12-26)14(8-16(19)22)17-11-25-10-15(21)18(9-20(25)23-17)24-5-3-2-4-6-24/h7-11,26H,2-6,12H2,1H3
InChIKeyTZTCQFJOFHPWEW-UHFFFAOYSA-N
MW450.76 g/mol
LogP4.91
Rot. Bonds4

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

[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol (PubChem CID 159911475) has the molecular formula C20H21BrClN3O2 and a molecular weight of 450.76 g/mol. Its IUPAC name is [2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol
PubChem CID159911475
Molecular FormulaC20H21BrClN3O2
Molecular Weight450.76 g/mol
Exact Mass449.05
IUPAC Name[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3cc(Br)c(N4CCCCC4)cc3n2)cc1Cl
InChIInChI=1S/C20H21BrClN3O2/c1-27-19-7-13(12-26)14(8-16(19)22)17-11-25-10-15(21)18(9-20(25)23-17)24-5-3-2-4-6-24/h7-11,26H,2-6,12H2,1H3
InChIKeyTZTCQFJOFHPWEW-UHFFFAOYSA-N
XLogP4.91
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.76
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[6-(4-aminobutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
CID 140914488
[4-chloro-2-[7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914446
6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 135335358
[4-chloro-2-[7-[4-(cyclopentylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914663
[4-chloro-5-methoxy-2-[7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
CID 140914483
[4-chloro-2-[7-[(3S)-3-(1-cyclohexylethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914625
[4-chloro-2-[7-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914512
[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate
CID 140914849
[4-chloro-5-methoxy-2-[7-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
CID 148789456
1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide
CID 140914841
2-(5-chloro-2,4-dimethoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-c]pyrimidine
CID 135281288
[2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol
CID 140914651

Frequently Asked Questions

What is the IUPAC name of [2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol (CID 159911475) is [2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3cc(Br)c(N4CCCCC4)cc3n2)cc1Cl.
What is the InChIKey of [2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol?
The InChIKey is TZTCQFJOFHPWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrClN3O2/c1-27-19-7-13(12-26)14(8-16(19)22)17-11-25-10-15(21)18(9-20(25)23-17)24-5-3-2-4-6-24/h7-11,26H,2-6,12H2,1H3.
What are the key properties of [2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol?
[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol has a molecular weight of 450.76 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 159911475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).