(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

C23H27N5O2 — CID 176500396

IUPAC(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cnc2c(c1)ncn2C1CCCC1)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C23H27N5O2/c29-23(27-10-4-8-20(14-27)30-15-17-5-3-9-24-12-17)18-11-21-22(25-13-18)28(16-26-21)19-6-1-2-7-19/h3,5,9,11-13,16,19-20H,1-2,4,6-8,10,14-15H2
InChIKeyPOJMAVOOOXDLEM-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.76
Rot. Bonds5

About (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 176500396) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
PubChem CID176500396
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cnc2c(c1)ncn2C1CCCC1)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C23H27N5O2/c29-23(27-10-4-8-20(14-27)30-15-17-5-3-9-24-12-17)18-11-21-22(25-13-18)28(16-26-21)19-6-1-2-7-19/h3,5,9,11-13,16,19-20H,1-2,4,6-8,10,14-15H2
InChIKeyPOJMAVOOOXDLEM-UHFFFAOYSA-N
XLogP3.76
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-methoxy-4-pyridinyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70710793
2-phenylsulfanyl-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580927
2-phenylsulfanyl-1-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580928
[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70758176
(6-methoxy-2,3-dihydro-1H-inden-5-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70721344
[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 96582328
(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 96577943
2,1-benzoxazol-3-yl-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 95207327
(5-cyclohexyl-1H-pyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70759901
3-(4-methylpiperazin-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 90648429
2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97147487
(2-morpholin-4-ylphenyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131916218

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (CID 176500396) is (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is O=C(c1cnc2c(c1)ncn2C1CCCC1)N1CCCC(OCc2cccnc2)C1.
What is the InChIKey of (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is POJMAVOOOXDLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-23(27-10-4-8-20(14-27)30-15-17-5-3-9-24-12-17)18-11-21-22(25-13-18)28(16-26-21)19-6-1-2-7-19/h3,5,9,11-13,16,19-20H,1-2,4,6-8,10,14-15H2.
What are the key properties of (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 176500396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).