[1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone

C27H30N6O2 — CID 21050183

IUPAC[1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCN(Cc2ccco2)CC1)N1CCC(n2c(-c3ccccn3)nc3cccnc32)CC1
InChIInChI=1S/C27H30N6O2/c34-27(20-8-14-31(15-9-20)19-22-5-4-18-35-22)32-16-10-21(11-17-32)33-25-24(7-3-13-29-25)30-26(33)23-6-1-2-12-28-23/h1-7,12-13,18,20-21H,8-11,14-17,19H2
InChIKeyQGINIXKIDADZJZ-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.16
Rot. Bonds5

About [1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone

[1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 21050183) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID21050183
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name[1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCN(Cc2ccco2)CC1)N1CCC(n2c(-c3ccccn3)nc3cccnc32)CC1
InChIInChI=1S/C27H30N6O2/c34-27(20-8-14-31(15-9-20)19-22-5-4-18-35-22)32-16-10-21(11-17-32)33-25-24(7-3-13-29-25)30-26(33)23-6-1-2-12-28-23/h1-7,12-13,18,20-21H,8-11,14-17,19H2
InChIKeyQGINIXKIDADZJZ-UHFFFAOYSA-N
XLogP4.16
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[3-(5-aminopyrrol-1-ium-3-yl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 163748655
[4-[(2-aminopyrimidin-5-yl)methyl]piperazin-1-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 21050263
ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050439
[1-[[5-(aminomethyl)furan-2-yl]methyl]-4-fluoropiperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 21050204
[4-[2-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone
CID 89245233
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(5-methyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 71068471
(3R)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95108517
[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 21050175
[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]-[1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone
CID 21050324
[4-(5-methylsulfonyl-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone
CID 21050345
[1-[(2-aminopyrimidin-5-yl)methyl]-4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 142821048
N-[4-[[4-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-methylboronamidic acid
CID 21050283

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 21050183) is [1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone is O=C(C1CCN(Cc2ccco2)CC1)N1CCC(n2c(-c3ccccn3)nc3cccnc32)CC1.
What is the InChIKey of [1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is QGINIXKIDADZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c34-27(20-8-14-31(15-9-20)19-22-5-4-18-35-22)32-16-10-21(11-17-32)33-25-24(7-3-13-29-25)30-26(33)23-6-1-2-12-28-23/h1-7,12-13,18,20-21H,8-11,14-17,19H2.
What are the key properties of [1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
[1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 470.58 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 21050183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).