furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone

C21H23N5O4 — CID 176500253

IUPACfuran-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2c(c1)ncn2C1CCOCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H23N5O4/c27-20(24-5-7-25(8-6-24)21(28)18-2-1-9-30-18)15-12-17-19(22-13-15)26(14-23-17)16-3-10-29-11-4-16/h1-2,9,12-14,16H,3-8,10-11H2
InChIKeyRDIKJWPWUWNKNU-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.97
Rot. Bonds3

About furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone (PubChem CID 176500253) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone
PubChem CID176500253
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Namefuran-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2c(c1)ncn2C1CCOCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H23N5O4/c27-20(24-5-7-25(8-6-24)21(28)18-2-1-9-30-18)15-12-17-19(22-13-15)26(14-23-17)16-3-10-29-11-4-16/h1-2,9,12-14,16H,3-8,10-11H2
InChIKeyRDIKJWPWUWNKNU-UHFFFAOYSA-N
XLogP1.97
TPSA93.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-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

[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 176503897
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176500900
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 176503873
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 175642980
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)-4-pyridinyl]methanone
CID 109083000
[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153468
[4-[2-(diethylamino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262135
N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644255
1-(furan-2-carbonyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxylic acid
CID 74246742
furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 91904969
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
3-cyclopentyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175645216

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone (CID 176500253) is furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone is O=C(c1cnc2c(c1)ncn2C1CCOCC1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone?
The InChIKey is RDIKJWPWUWNKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c27-20(24-5-7-25(8-6-24)21(28)18-2-1-9-30-18)15-12-17-19(22-13-15)26(14-23-17)16-3-10-29-11-4-16/h1-2,9,12-14,16H,3-8,10-11H2.
What are the key properties of furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone has a molecular weight of 409.45 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 176500253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).