2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one

C9H13N3O — CID 122697215

IUPAC2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one
SMILESCC(C)c1nc2c([nH]1)CCC(=O)N2
InChIInChI=1S/C9H13N3O/c1-5(2)8-10-6-3-4-7(13)11-9(6)12-8/h5H,3-4H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyCPQYDXZTLLUKRA-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.42
Rot. Bonds1

About 2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one

2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one (PubChem CID 122697215) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one
PubChem CID122697215
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one
SMILESCC(C)c1nc2c([nH]1)CCC(=O)N2
InChIInChI=1S/C9H13N3O/c1-5(2)8-10-6-3-4-7(13)11-9(6)12-8/h5H,3-4H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyCPQYDXZTLLUKRA-UHFFFAOYSA-N
XLogP1.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine
CID 83864765
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
CID 158996695
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135506238
CID 157384744
CID 157384744
hydron;pyrrolidine-2,5-dione
CID 174652792
CID 70395227
CID 70395227
4-butyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805670
2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 139502494
ethane;7-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 143189329
2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822018
4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973804

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one?
The IUPAC name of 2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one (CID 122697215) is 2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one is CC(C)c1nc2c([nH]1)CCC(=O)N2.
What is the InChIKey of 2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one?
The InChIKey is CPQYDXZTLLUKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-5(2)8-10-6-3-4-7(13)11-9(6)12-8/h5H,3-4H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of 2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one?
2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one has a molecular weight of 179.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 122697215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).