2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide

C17H17FN6O — CID 142462962

IUPAC2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCc2cnc(-c3c[nH]c4ncc(F)cc34)nc21
InChIInChI=1S/C17H17FN6O/c1-23(2)14(25)9-24-4-3-10-6-19-16(22-17(10)24)13-8-21-15-12(13)5-11(18)7-20-15/h5-8H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyFPMJYYNZIIBZTK-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.61
Rot. Bonds3

About 2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide

2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide (PubChem CID 142462962) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide
PubChem CID142462962
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCc2cnc(-c3c[nH]c4ncc(F)cc34)nc21
InChIInChI=1S/C17H17FN6O/c1-23(2)14(25)9-24-4-3-10-6-19-16(22-17(10)24)13-8-21-15-12(13)5-11(18)7-20-15/h5-8H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyFPMJYYNZIIBZTK-UHFFFAOYSA-N
XLogP1.61
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

3-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylpropanamide
CID 142463032
ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144524176
trans-(1S,2S)-2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexane-1-carboxylic acid
CID 146523193
ethyl (2S,3S)-3-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]bicyclo[2.2.2]octane-2-carboxylate
CID 146523240
1-[4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-methylurea
CID 142463062
methyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate
CID 158455704
(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methylbicyclo[2.2.2]octane-2-carboxamide
CID 118728822
(2S,3S)-3-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylbutanoic acid
CID 146523311
ethyl (2R,3R)-3-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylbutanoate
CID 146523271
(2S,3S)-3-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)purin-9-yl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 155568031
1-[3-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-methylurea
CID 146523307
1-[(1R,3R)-3-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-methylurea
CID 142463037

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide (CID 142462962) is 2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCc2cnc(-c3c[nH]c4ncc(F)cc34)nc21.
What is the InChIKey of 2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide?
The InChIKey is FPMJYYNZIIBZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-23(2)14(25)9-24-4-3-10-6-19-16(22-17(10)24)13-8-21-15-12(13)5-11(18)7-20-15/h5-8H,3-4,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide?
2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide has a molecular weight of 340.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 142462962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).