3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one

C15H17F2N3O3 — CID 155351898

IUPAC3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
SMILESCc1cn(C)c(=O)c2c(C(=O)N3CC(OC(F)F)C3)cn(C)c12
InChIInChI=1S/C15H17F2N3O3/c1-8-4-19(3)14(22)11-10(7-18(2)12(8)11)13(21)20-5-9(6-20)23-15(16)17/h4,7,9,15H,5-6H2,1-3H3
InChIKeyXUZSARCNWZMBBF-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.25
Rot. Bonds3

About 3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one

3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one (PubChem CID 155351898) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
PubChem CID155351898
Molecular FormulaC15H17F2N3O3
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Name3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
SMILESCc1cn(C)c(=O)c2c(C(=O)N3CC(OC(F)F)C3)cn(C)c12
InChIInChI=1S/C15H17F2N3O3/c1-8-4-19(3)14(22)11-10(7-18(2)12(8)11)13(21)20-5-9(6-20)23-15(16)17/h4,7,9,15H,5-6H2,1-3H3
InChIKeyXUZSARCNWZMBBF-UHFFFAOYSA-N
XLogP1.25
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxypiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
CID 155351860
1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one
CID 155351702
3-[7,7-difluoro-6-(4-methoxyphenyl)-3-azabicyclo[4.1.0]heptane-3-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
CID 155351981
1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one
CID 155351745
1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one
CID 155351753
3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
CID 155351853
1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide
CID 155372604
5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 154807639
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
CID 155351767
3-[7,7-difluoro-6-(2-methoxyphenyl)-3-azabicyclo[4.1.0]heptane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one
CID 155372516
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one
CID 146092256

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one (CID 155351898) is 3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one is Cc1cn(C)c(=O)c2c(C(=O)N3CC(OC(F)F)C3)cn(C)c12.
What is the InChIKey of 3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one?
The InChIKey is XUZSARCNWZMBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c1-8-4-19(3)14(22)11-10(7-18(2)12(8)11)13(21)20-5-9(6-20)23-15(16)17/h4,7,9,15H,5-6H2,1-3H3.
What are the key properties of 3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one?
3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one has a molecular weight of 325.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 155351898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).