2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one

C19H17N3O — CID 148859774

IUPAC2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
SMILESO=C1CCCc2[nH]c(-c3ccncc3)c(Cc3ccccn3)c21
InChIInChI=1S/C19H17N3O/c23-17-6-3-5-16-18(17)15(12-14-4-1-2-9-21-14)19(22-16)13-7-10-20-11-8-13/h1-2,4,7-11,22H,3,5-6,12H2
InChIKeyOZCAWTUYDBNBKQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.58
Rot. Bonds3

About 2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one

2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one (PubChem CID 148859774) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
PubChem CID148859774
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
SMILESO=C1CCCc2[nH]c(-c3ccncc3)c(Cc3ccccn3)c21
InChIInChI=1S/C19H17N3O/c23-17-6-3-5-16-18(17)15(12-14-4-1-2-9-21-14)19(22-16)13-7-10-20-11-8-13/h1-2,4,7-11,22H,3,5-6,12H2
InChIKeyOZCAWTUYDBNBKQ-UHFFFAOYSA-N
XLogP3.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one (CID 148859774) is 2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one is O=C1CCCc2[nH]c(-c3ccncc3)c(Cc3ccccn3)c21.
What is the InChIKey of 2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is OZCAWTUYDBNBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-17-6-3-5-16-18(17)15(12-14-4-1-2-9-21-14)19(22-16)13-7-10-20-11-8-13/h1-2,4,7-11,22H,3,5-6,12H2.
What are the key properties of 2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one?
2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 303.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-3-(pyridin-2-ylmethyl)-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 148859774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).