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

C25H32N4O4 — CID 42434725

IUPAC1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(CC(=O)N2CCC(n3c(C(C)C)nc4cccnc43)CC2)cc(OC)c1OC
InChIInChI=1S/C25H32N4O4/c1-16(2)24-27-19-7-6-10-26-25(19)29(24)18-8-11-28(12-9-18)22(30)15-17-13-20(31-3)23(33-5)21(14-17)32-4/h6-7,10,13-14,16,18H,8-9,11-12,15H2,1-5H3
InChIKeyZOHVUAXVDKTVQF-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.99
Rot. Bonds7

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

1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone (PubChem CID 42434725) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
PubChem CID42434725
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(CC(=O)N2CCC(n3c(C(C)C)nc4cccnc43)CC2)cc(OC)c1OC
InChIInChI=1S/C25H32N4O4/c1-16(2)24-27-19-7-6-10-26-25(19)29(24)18-8-11-28(12-9-18)22(30)15-17-13-20(31-3)23(33-5)21(14-17)32-4/h6-7,10,13-14,16,18H,8-9,11-12,15H2,1-5H3
InChIKeyZOHVUAXVDKTVQF-UHFFFAOYSA-N
XLogP3.99
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 42480259
cyclobutyl-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 42431837
2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone
CID 45234075
1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95108227
6-[[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]quinoxaline
CID 26400784
ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate
CID 79481013
1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
CID 120996197
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119412512
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 119638403
1-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 53186771
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 8779416
2-(3-fluorophenyl)-1-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 95108186

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone (CID 42434725) is 1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone is COc1cc(CC(=O)N2CCC(n3c(C(C)C)nc4cccnc43)CC2)cc(OC)c1OC.
What is the InChIKey of 1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The InChIKey is ZOHVUAXVDKTVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-16(2)24-27-19-7-6-10-26-25(19)29(24)18-8-11-28(12-9-18)22(30)15-17-13-20(31-3)23(33-5)21(14-17)32-4/h6-7,10,13-14,16,18H,8-9,11-12,15H2,1-5H3.
What are the key properties of 1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone has a molecular weight of 452.56 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 42434725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).