1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

C26H32N4O4 — CID 42480259

IUPAC1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(CC(=O)N2CCC(n3c(C4CCC4)nc4cccnc43)CC2)cc(OC)c1OC
InChIInChI=1S/C26H32N4O4/c1-32-21-14-17(15-22(33-2)24(21)34-3)16-23(31)29-12-9-19(10-13-29)30-25(18-6-4-7-18)28-20-8-5-11-27-26(20)30/h5,8,11,14-15,18-19H,4,6-7,9-10,12-13,16H2,1-3H3
InChIKeyZCCGEDPGCGZGIW-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.13
Rot. Bonds7

About 1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone (PubChem CID 42480259) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
PubChem CID42480259
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(CC(=O)N2CCC(n3c(C4CCC4)nc4cccnc43)CC2)cc(OC)c1OC
InChIInChI=1S/C26H32N4O4/c1-32-21-14-17(15-22(33-2)24(21)34-3)16-23(31)29-12-9-19(10-13-29)30-25(18-6-4-7-18)28-20-8-5-11-27-26(20)30/h5,8,11,14-15,18-19H,4,6-7,9-10,12-13,16H2,1-3H3
InChIKeyZCCGEDPGCGZGIW-UHFFFAOYSA-N
XLogP4.13
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone 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-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 42434725
1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95108227
2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone
CID 42276477
2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42473072
1-[(3R)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-ethoxyethanone
CID 95108212
1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42362458
3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 53186906
[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 42432778
cyclohexyl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 53186782
(3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 95108431
(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
1-[4-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 42478959

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone (CID 42480259) is 1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone is COc1cc(CC(=O)N2CCC(n3c(C4CCC4)nc4cccnc43)CC2)cc(OC)c1OC.
What is the InChIKey of 1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The InChIKey is ZCCGEDPGCGZGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-32-21-14-17(15-22(33-2)24(21)34-3)16-23(31)29-12-9-19(10-13-29)30-25(18-6-4-7-18)28-20-8-5-11-27-26(20)30/h5,8,11,14-15,18-19H,4,6-7,9-10,12-13,16H2,1-3H3.
What are the key properties of 1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone has a molecular weight of 464.57 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 42480259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).