methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate

C21H23N3O3 — CID 89493929

IUPACmethyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(-c3cccc(CN4CCC(O)CC4)c3)n2c1
InChIInChI=1S/C21H23N3O3/c1-27-21(26)17-5-6-20-22-12-19(24(20)14-17)16-4-2-3-15(11-16)13-23-9-7-18(25)8-10-23/h2-6,11-12,14,18,25H,7-10,13H2,1H3
InChIKeyKMCBVPGZHALPBV-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.74
Rot. Bonds4

About methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 89493929) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID89493929
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namemethyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(-c3cccc(CN4CCC(O)CC4)c3)n2c1
InChIInChI=1S/C21H23N3O3/c1-27-21(26)17-5-6-20-22-12-19(24(20)14-17)16-4-2-3-15(11-16)13-23-9-7-18(25)8-10-23/h2-6,11-12,14,18,25H,7-10,13H2,1H3
InChIKeyKMCBVPGZHALPBV-UHFFFAOYSA-N
XLogP2.74
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Related Compounds

5-[[3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 78108342
methyl 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]benzoate
CID 59382052
methyl 2-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]benzoate
CID 103749166
methyl 3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]benzoate;hydrochloride
CID 120842629
methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate
CID 142738884
1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 59321072
methyl 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62062528
methyl 4-[[7-[(4-hydroxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate
CID 126463179
methyl 4-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007013
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
7-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile
CID 23438309
N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide
CID 117082777

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 89493929) is methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2ncc(-c3cccc(CN4CCC(O)CC4)c3)n2c1.
What is the InChIKey of methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is KMCBVPGZHALPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-21(26)17-5-6-20-22-12-19(24(20)14-17)16-4-2-3-15(11-16)13-23-9-7-18(25)8-10-23/h2-6,11-12,14,18,25H,7-10,13H2,1H3.
What are the key properties of methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 89493929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).