1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one

C19H18N4O — CID 118526045

IUPAC1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(-c3cnn(-c4ccncc4)c3)cc21
InChIInChI=1S/C19H18N4O/c1-19(2)16-5-4-13(10-17(16)22(3)18(19)24)14-11-21-23(12-14)15-6-8-20-9-7-15/h4-12H,1-3H3
InChIKeyFVHNZHAJJGBZKX-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.19
Rot. Bonds2

About 1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one

1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one (PubChem CID 118526045) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one
PubChem CID118526045
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(-c3cnn(-c4ccncc4)c3)cc21
InChIInChI=1S/C19H18N4O/c1-19(2)16-5-4-13(10-17(16)22(3)18(19)24)14-11-21-23(12-14)15-6-8-20-9-7-15/h4-12H,1-3H3
InChIKeyFVHNZHAJJGBZKX-UHFFFAOYSA-N
XLogP3.19
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one?
The IUPAC name of 1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one (CID 118526045) is 1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one?
The canonical SMILES for 1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one is CN1C(=O)C(C)(C)c2ccc(-c3cnn(-c4ccncc4)c3)cc21.
What is the InChIKey of 1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one?
The InChIKey is FVHNZHAJJGBZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-19(2)16-5-4-13(10-17(16)22(3)18(19)24)14-11-21-23(12-14)15-6-8-20-9-7-15/h4-12H,1-3H3.
What are the key properties of 1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one?
1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one has a molecular weight of 318.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one is sourced from PubChem (CID 118526045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).