6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one

C17H14N4O — CID 44587272

IUPAC6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one
SMILESCn1cc(-c2ccc3c(c2)C(=O)NC3)c(-c2ccncc2)n1
InChIInChI=1S/C17H14N4O/c1-21-10-15(16(20-21)11-4-6-18-7-5-11)12-2-3-13-9-19-17(22)14(13)8-12/h2-8,10H,9H2,1H3,(H,19,22)
InChIKeyMFVKGUYNVWKEKE-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.39
Rot. Bonds2

About 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one

6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one (PubChem CID 44587272) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one
PubChem CID44587272
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one
SMILESCn1cc(-c2ccc3c(c2)C(=O)NC3)c(-c2ccncc2)n1
InChIInChI=1S/C17H14N4O/c1-21-10-15(16(20-21)11-4-6-18-7-5-11)12-2-3-13-9-19-17(22)14(13)8-12/h2-8,10H,9H2,1H3,(H,19,22)
InChIKeyMFVKGUYNVWKEKE-UHFFFAOYSA-N
XLogP2.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one (CID 44587272) is 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one is Cn1cc(-c2ccc3c(c2)C(=O)NC3)c(-c2ccncc2)n1.
What is the InChIKey of 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is MFVKGUYNVWKEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-21-10-15(16(20-21)11-4-6-18-7-5-11)12-2-3-13-9-19-17(22)14(13)8-12/h2-8,10H,9H2,1H3,(H,19,22).
What are the key properties of 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one?
6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 290.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 44587272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).