2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol

C27H31N5O3 — CID 167588142

IUPAC2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol
SMILESCc1cnc2cc(OCC(C)(C)O)cc(-c3ccc(N4CCC(Oc5cccnc5)CC4)nc3)n12
InChIInChI=1S/C27H31N5O3/c1-19-15-29-26-14-23(34-18-27(2,3)33)13-24(32(19)26)20-6-7-25(30-16-20)31-11-8-21(9-12-31)35-22-5-4-10-28-17-22/h4-7,10,13-17,21,33H,8-9,11-12,18H2,1-3H3
InChIKeyWFILYJPQXLMCJS-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.30
Rot. Bonds7

About 2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol

2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol (PubChem CID 167588142) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol
PubChem CID167588142
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol
SMILESCc1cnc2cc(OCC(C)(C)O)cc(-c3ccc(N4CCC(Oc5cccnc5)CC4)nc3)n12
InChIInChI=1S/C27H31N5O3/c1-19-15-29-26-14-23(34-18-27(2,3)33)13-24(32(19)26)20-6-7-25(30-16-20)31-11-8-21(9-12-31)35-22-5-4-10-28-17-22/h4-7,10,13-17,21,33H,8-9,11-12,18H2,1-3H3
InChIKeyWFILYJPQXLMCJS-UHFFFAOYSA-N
XLogP4.30
TPSA85.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol with MolForge

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Related Compounds

5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
CID 162769745
4-methoxy-6-(4-pyridin-3-yloxypiperidin-1-yl)pyrimidine
CID 50962504
1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
CID 134436449
7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 162769775
1-[3-chloro-4-[6-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
CID 134436432
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56756758
4-[6-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435193
1-[4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-3-(methyliminomethyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
CID 146667746
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine
CID 154781851
5-methyl-7-(4-pyridin-3-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 56916689
1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
CID 134435436

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol?
The IUPAC name of 2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol (CID 167588142) is 2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol?
The canonical SMILES for 2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol is Cc1cnc2cc(OCC(C)(C)O)cc(-c3ccc(N4CCC(Oc5cccnc5)CC4)nc3)n12.
What is the InChIKey of 2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol?
The InChIKey is WFILYJPQXLMCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-19-15-29-26-14-23(34-18-27(2,3)33)13-24(32(19)26)20-6-7-25(30-16-20)31-11-8-21(9-12-31)35-22-5-4-10-28-17-22/h4-7,10,13-17,21,33H,8-9,11-12,18H2,1-3H3.
What are the key properties of 2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol?
2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol has a molecular weight of 473.58 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-methyl-5-[6-(4-pyridin-3-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol is sourced from PubChem (CID 167588142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).