7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one

C19H15N3O — CID 134237914

IUPAC7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one
SMILESCC1Cc2cc3cc(C#Cc4ccccn4)cnc3c(=O)n2C1
InChIInChI=1S/C19H15N3O/c1-13-8-17-10-15-9-14(5-6-16-4-2-3-7-20-16)11-21-18(15)19(23)22(17)12-13/h2-4,7,9-11,13H,8,12H2,1H3
InChIKeyLFBBCZYHKACDAT-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.38
Rot. Bonds

About 7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one

7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one (PubChem CID 134237914) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one.

Molecular Properties

Compound Name7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one
PubChem CID134237914
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one
SMILESCC1Cc2cc3cc(C#Cc4ccccn4)cnc3c(=O)n2C1
InChIInChI=1S/C19H15N3O/c1-13-8-17-10-15-9-14(5-6-16-4-2-3-7-20-16)11-21-18(15)19(23)22(17)12-13/h2-4,7,9-11,13H,8,12H2,1H3
InChIKeyLFBBCZYHKACDAT-UHFFFAOYSA-N
XLogP2.38
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluoropropan-2-yl)-12-(2-pyridin-2-ylethynyl)-2,7,10-triazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one
CID 134237901
6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
CID 58574559
6-(2-pyridin-2-ylethynyl)-12-(trifluoromethyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
CID 71112717
13-methyl-6-(2-pyridin-2-ylethynyl)-13-(trifluoromethyl)-1,4,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,6,9-tetraen-2-one
CID 134243580
(13R)-13-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
CID 123892205
13-methyl-5-(2-pyridin-2-ylethynyl)-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(10),2,4,6-tetraen-9-one
CID 53252018
9-oxo-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-2-carbonitrile
CID 71112608
6-methyl-14-(2-pyridin-2-ylethynyl)-1,8,11-triazatetracyclo[8.8.0.03,8.012,17]octadeca-10,12(17),13,15-tetraen-18-one
CID 123860500
2-(2-methoxyethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 71112615
8-hydroxy-3-(2-pyridin-2-ylethynyl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 58574163
13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 158461680
10-methyl-3-(2-pyridin-2-ylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 159666709

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one?
The IUPAC name of 7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one (CID 134237914) is 7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one.
What is the SMILES notation for 7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one?
The canonical SMILES for 7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one is CC1Cc2cc3cc(C#Cc4ccccn4)cnc3c(=O)n2C1.
What is the InChIKey of 7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one?
The InChIKey is LFBBCZYHKACDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-13-8-17-10-15-9-14(5-6-16-4-2-3-7-20-16)11-21-18(15)19(23)22(17)12-13/h2-4,7,9-11,13H,8,12H2,1H3.
What are the key properties of 7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one?
7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one has a molecular weight of 301.35 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-pyridin-2-ylethynyl)-7,8-dihydro-6H-pyrrolo[2,1-g][1,7]naphthyridin-10-one is sourced from PubChem (CID 134237914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).