1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine

C18H16N2 — CID 166360388

IUPAC1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine
SMILESC=C1CCc2cc(-c3cn(C)c4cnccc34)ccc21
InChIInChI=1S/C18H16N2/c1-12-3-4-13-9-14(5-6-15(12)13)17-11-20(2)18-10-19-8-7-16(17)18/h5-11H,1,3-4H2,2H3
InChIKeyGFXGBAUJISMIES-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.20
Rot. Bonds1

About 1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine

1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine (PubChem CID 166360388) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine
PubChem CID166360388
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine
SMILESC=C1CCc2cc(-c3cn(C)c4cnccc34)ccc21
InChIInChI=1S/C18H16N2/c1-12-3-4-13-9-14(5-6-15(12)13)17-11-20(2)18-10-19-8-7-16(17)18/h5-11H,1,3-4H2,2H3
InChIKeyGFXGBAUJISMIES-UHFFFAOYSA-N
XLogP4.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline
CID 166360060
5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine
CID 82386174
1,3-dimethylpyrrolo[2,3-c]pyridine
CID 59430828
1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine
CID 175963630
6-methyl-3-methylidene-1,2-dihydroindene
CID 58380222
ethane;1-methylpyrrolo[2,3-c]pyridin-3-amine
CID 142426544
3-cyclopropyl-1-methylpyrrolo[2,3-c]pyridine;ethane
CID 167522006
tert-butyl 3-(1-methylidene-2,3-dihydroinden-5-yl)-4-pyridin-4-ylcyclopenta-1,3-diene-1-carboxylate
CID 58999549
4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine
CID 167258244
4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 156707453
6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole
CID 123275947
4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde
CID 139370969

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine (CID 166360388) is 1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine is C=C1CCc2cc(-c3cn(C)c4cnccc34)ccc21.
What is the InChIKey of 1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine?
The InChIKey is GFXGBAUJISMIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-12-3-4-13-9-14(5-6-15(12)13)17-11-20(2)18-10-19-8-7-16(17)18/h5-11H,1,3-4H2,2H3.
What are the key properties of 1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine?
1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine has a molecular weight of 260.34 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylidene-2,3-dihydroinden-5-yl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 166360388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).