5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

C23H36N4O2 — CID 123617562

IUPAC5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3CCCN(C(O)C4CCCC4)C3)nc21
InChIInChI=1S/C23H36N4O2/c1-23(2,3)15-27-19-12-11-18(24-20(19)25(4)22(27)29)17-10-7-13-26(14-17)21(28)16-8-5-6-9-16/h11-12,16-17,21,28H,5-10,13-15H2,1-4H3
InChIKeyMZEDBOWGSRGHJC-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.47
Rot. Bonds4

About 5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 123617562) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID123617562
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3CCCN(C(O)C4CCCC4)C3)nc21
InChIInChI=1S/C23H36N4O2/c1-23(2,3)15-27-19-12-11-18(24-20(19)25(4)22(27)29)17-10-7-13-26(14-17)21(28)16-8-5-6-9-16/h11-12,16-17,21,28H,5-10,13-15H2,1-4H3
InChIKeyMZEDBOWGSRGHJC-UHFFFAOYSA-N
XLogP3.47
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one (CID 123617562) is 5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCCN(C(O)C4CCCC4)C3)nc21.
What is the InChIKey of 5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is MZEDBOWGSRGHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-23(2,3)15-27-19-12-11-18(24-20(19)25(4)22(27)29)17-10-7-13-26(14-17)21(28)16-8-5-6-9-16/h11-12,16-17,21,28H,5-10,13-15H2,1-4H3.
What are the key properties of 5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 400.57 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 123617562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).