1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole

C22H17N3 — CID 66493763

IUPAC1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2c1nccc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C22H17N3/c1-2-7-18-15-19(10-9-16(18)5-1)20-11-13-23-22(24-20)25-14-12-17-6-3-4-8-21(17)25/h1-11,13,15H,12,14H2
InChIKeyWUIJXYVBFBWSFS-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.99
Rot. Bonds2

About 1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole

1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole (PubChem CID 66493763) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole
PubChem CID66493763
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2c1nccc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C22H17N3/c1-2-7-18-15-19(10-9-16(18)5-1)20-11-13-23-22(24-20)25-14-12-17-6-3-4-8-21(17)25/h1-11,13,15H,12,14H2
InChIKeyWUIJXYVBFBWSFS-UHFFFAOYSA-N
XLogP4.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole?
The IUPAC name of 1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole (CID 66493763) is 1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole is c1ccc2c(c1)CCN2c1nccc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole?
The InChIKey is WUIJXYVBFBWSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-2-7-18-15-19(10-9-16(18)5-1)20-11-13-23-22(24-20)25-14-12-17-6-3-4-8-21(17)25/h1-11,13,15H,12,14H2.
What are the key properties of 1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole?
1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole has a molecular weight of 323.40 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole is sourced from PubChem (CID 66493763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).