2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone

C20H17FN4O — CID 162036810

IUPAC2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
SMILESNc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1Cc2cccnc2C1
InChIInChI=1S/C20H17FN4O/c21-15-5-3-13(4-6-15)17-8-7-16(22)18(24-17)10-20(26)25-11-14-2-1-9-23-19(14)12-25/h1-9H,10-12,22H2
InChIKeyZGCJWZCKCNYZIU-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.95
Rot. Bonds3

About 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone (PubChem CID 162036810) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
PubChem CID162036810
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
SMILESNc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1Cc2cccnc2C1
InChIInChI=1S/C20H17FN4O/c21-15-5-3-13(4-6-15)17-8-7-16(22)18(24-17)10-20(26)25-11-14-2-1-9-23-19(14)12-25/h1-9H,10-12,22H2
InChIKeyZGCJWZCKCNYZIU-UHFFFAOYSA-N
XLogP2.95
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone
CID 147020979
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3-fluoro-3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone
CID 158019572
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone
CID 162163426
2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
CID 147399624
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 160529791
2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 163822504
1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone
CID 121191089
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-[methyl(oxetan-3-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 161108014
1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one
CID 121191045
N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 135211632
1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-phenylpropan-1-one
CID 121190856
2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-[1-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone
CID 161479984

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
The IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone (CID 162036810) is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone.
What is the SMILES notation for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
The canonical SMILES for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone is Nc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1Cc2cccnc2C1.
What is the InChIKey of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
The InChIKey is ZGCJWZCKCNYZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-15-5-3-13(4-6-15)17-8-7-16(22)18(24-17)10-20(26)25-11-14-2-1-9-23-19(14)12-25/h1-9H,10-12,22H2.
What are the key properties of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone has a molecular weight of 348.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone is sourced from PubChem (CID 162036810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).