[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate

C21H22ClN3O4 — CID 140914849

IUPAC[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCC(OC=O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C21H22ClN3O4/c1-28-20-8-14(12-26)17(10-18(20)22)19-11-25-5-2-15(9-21(25)23-19)24-6-3-16(4-7-24)29-13-27/h2,5,8-11,13,16,26H,3-4,6-7,12H2,1H3
InChIKeyLCSKRKYDWCJOHY-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.30
Rot. Bonds6

About [1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate

[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate (PubChem CID 140914849) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is [1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate.

Molecular Properties

Compound Name[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate
PubChem CID140914849
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCC(OC=O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C21H22ClN3O4/c1-28-20-8-14(12-26)17(10-18(20)22)19-11-25-5-2-15(9-21(25)23-19)24-6-3-16(4-7-24)29-13-27/h2,5,8-11,13,16,26H,3-4,6-7,12H2,1H3
InChIKeyLCSKRKYDWCJOHY-UHFFFAOYSA-N
XLogP3.30
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide
CID 140914841
[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-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914446
N-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1-phenylmethanesulfonamide
CID 154702314
[4-[[[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]amino]methyl]phenyl]methanol
CID 140914730
[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-[(3S)-3-[(2-fluoro-4-pyridinyl)methylamino]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914450
ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate
CID 140914622
tert-butyl 4-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 140914371
N-[2-[[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide
CID 154702294
[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

Frequently Asked Questions

What is the IUPAC name of [1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate?
The IUPAC name of [1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate (CID 140914849) is [1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate.
What is the SMILES notation for [1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate?
The canonical SMILES for [1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate is COc1cc(CO)c(-c2cn3ccc(N4CCC(OC=O)CC4)cc3n2)cc1Cl.
What is the InChIKey of [1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate?
The InChIKey is LCSKRKYDWCJOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-28-20-8-14(12-26)17(10-18(20)22)19-11-25-5-2-15(9-21(25)23-19)24-6-3-16(4-7-24)29-13-27/h2,5,8-11,13,16,26H,3-4,6-7,12H2,1H3.
What are the key properties of [1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate?
[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate has a molecular weight of 415.88 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate is sourced from PubChem (CID 140914849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).