4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid

C27H33N5O3 — CID 71557980

IUPAC4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid
SMILESCc1ccc2[nH]c(-c3ccc(N4CCC(OCC56CCC(C(=O)O)(CC5)CC6)CC4)nc3)nc2n1
InChIInChI=1S/C27H33N5O3/c1-18-2-4-21-24(29-18)31-23(30-21)19-3-5-22(28-16-19)32-14-6-20(7-15-32)35-17-26-8-11-27(12-9-26,13-10-26)25(33)34/h2-5,16,20H,6-15,17H2,1H3,(H,33,34)(H,29,30,31)
InChIKeyLRNOYELWFTVDDE-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.74
Rot. Bonds6

About 4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid

4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid (PubChem CID 71557980) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid
PubChem CID71557980
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid
SMILESCc1ccc2[nH]c(-c3ccc(N4CCC(OCC56CCC(C(=O)O)(CC5)CC6)CC4)nc3)nc2n1
InChIInChI=1S/C27H33N5O3/c1-18-2-4-21-24(29-18)31-23(30-21)19-3-5-22(28-16-19)32-14-6-20(7-15-32)35-17-26-8-11-27(12-9-26,13-10-26)25(33)34/h2-5,16,20H,6-15,17H2,1H3,(H,33,34)(H,29,30,31)
InChIKeyLRNOYELWFTVDDE-UHFFFAOYSA-N
XLogP4.74
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid with MolForge

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Related Compounds

1-[[1-[5-[6-(1,1-difluorobut-2-enyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid
CID 123315338
3-[1-[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1,1-dicarboxylic acid
CID 71110159
3-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1,1-dicarboxylic acid
CID 71110433
1-propyl-4-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid
CID 123864303
5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 123624001
methane;3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1,1-dicarboxylic acid
CID 162124039
3-[1-[5-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]oxy-2,2-dimethylpropanoic acid
CID 71612499
6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid
CID 71110369
2-[(3aS,6aR)-5-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]acetic acid
CID 71110532
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63903910
methyl 3-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]benzoate
CID 71110530
5-ethoxy-2-(6-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 79815692

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid?
The IUPAC name of 4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid (CID 71557980) is 4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid?
The canonical SMILES for 4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid is Cc1ccc2[nH]c(-c3ccc(N4CCC(OCC56CCC(C(=O)O)(CC5)CC6)CC4)nc3)nc2n1.
What is the InChIKey of 4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid?
The InChIKey is LRNOYELWFTVDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-18-2-4-21-24(29-18)31-23(30-21)19-3-5-22(28-16-19)32-14-6-20(7-15-32)35-17-26-8-11-27(12-9-26,13-10-26)25(33)34/h2-5,16,20H,6-15,17H2,1H3,(H,33,34)(H,29,30,31).
What are the key properties of 4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid?
4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid has a molecular weight of 475.59 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid is sourced from PubChem (CID 71557980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).