7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one

C17H15N3O2 — CID 162529381

IUPAC7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one
SMILESCOc1ccc(-c2ccc3cnn(C)c3c2)c2c1C(=O)NC2
InChIInChI=1S/C17H15N3O2/c1-20-14-7-10(3-4-11(14)8-19-20)12-5-6-15(22-2)16-13(12)9-18-17(16)21/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyITWKDZBEGMKCRS-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.49
Rot. Bonds2

About 7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one

7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one (PubChem CID 162529381) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one
PubChem CID162529381
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one
SMILESCOc1ccc(-c2ccc3cnn(C)c3c2)c2c1C(=O)NC2
InChIInChI=1S/C17H15N3O2/c1-20-14-7-10(3-4-11(14)8-19-20)12-5-6-15(22-2)16-13(12)9-18-17(16)21/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyITWKDZBEGMKCRS-UHFFFAOYSA-N
XLogP2.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one (CID 162529381) is 7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one is COc1ccc(-c2ccc3cnn(C)c3c2)c2c1C(=O)NC2.
What is the InChIKey of 7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is ITWKDZBEGMKCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-20-14-7-10(3-4-11(14)8-19-20)12-5-6-15(22-2)16-13(12)9-18-17(16)21/h3-8H,9H2,1-2H3,(H,18,21).
What are the key properties of 7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one?
7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 293.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 162529381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).