3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine

C24H26N4OS — CID 45217578

IUPAC3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
SMILESc1ccc2sc(CN3CCC(n4c(C5CCCO5)nc5cccnc54)CC3)cc2c1
InChIInChI=1S/C24H26N4OS/c1-2-8-22-17(5-1)15-19(30-22)16-27-12-9-18(10-13-27)28-23-20(6-3-11-25-23)26-24(28)21-7-4-14-29-21/h1-3,5-6,8,11,15,18,21H,4,7,9-10,12-14,16H2
InChIKeyXHILMEBHQGKGQT-UHFFFAOYSA-N
MW418.57 g/mol
LogP5.33
Rot. Bonds4

About 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine

3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 45217578) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID45217578
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
SMILESc1ccc2sc(CN3CCC(n4c(C5CCCO5)nc5cccnc54)CC3)cc2c1
InChIInChI=1S/C24H26N4OS/c1-2-8-22-17(5-1)15-19(30-22)16-27-12-9-18(10-13-27)28-23-20(6-3-11-25-23)26-24(28)21-7-4-14-29-21/h1-3,5-6,8,11,15,18,21H,4,7,9-10,12-14,16H2
InChIKeyXHILMEBHQGKGQT-UHFFFAOYSA-N
XLogP5.33
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.57
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 45237210
1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone
CID 26352178
3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162835
2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117162755
3-ethyl-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162543
(E)-3-(2-chlorophenyl)-1-[4-[2-[(2R)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 42471194
[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 42472309
2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
CID 45167058
3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162855
(E)-3-(4-methoxyphenyl)-1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 25325846
2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42473072
3-(furan-2-ylmethyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162710

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine (CID 45217578) is 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine is c1ccc2sc(CN3CCC(n4c(C5CCCO5)nc5cccnc54)CC3)cc2c1.
What is the InChIKey of 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is XHILMEBHQGKGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-2-8-22-17(5-1)15-19(30-22)16-27-12-9-18(10-13-27)28-23-20(6-3-11-25-23)26-24(28)21-7-4-14-29-21/h1-3,5-6,8,11,15,18,21H,4,7,9-10,12-14,16H2.
What are the key properties of 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine?
3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 418.57 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 45217578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).