6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one

C24H21N7O — CID 135351014

IUPAC6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
SMILESO=C1c2cc(-c3cnn(C4CC4)c3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C24H21N7O/c32-24-20-10-15(17-11-26-31(13-17)19-8-9-19)4-5-16(20)12-29(24)22-3-1-2-21(27-22)23-28-25-14-30(23)18-6-7-18/h1-5,10-11,13-14,18-19H,6-9,12H2
InChIKeyRHRKCQIDEZCNDX-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.03
Rot. Bonds5

About 6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one

6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one (PubChem CID 135351014) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
PubChem CID135351014
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
SMILESO=C1c2cc(-c3cnn(C4CC4)c3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C24H21N7O/c32-24-20-10-15(17-11-26-31(13-17)19-8-9-19)4-5-16(20)12-29(24)22-3-1-2-21(27-22)23-28-25-14-30(23)18-6-7-18/h1-5,10-11,13-14,18-19H,6-9,12H2
InChIKeyRHRKCQIDEZCNDX-UHFFFAOYSA-N
XLogP4.03
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one?
The IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one (CID 135351014) is 6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one.
What is the SMILES notation for 6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one?
The canonical SMILES for 6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one is O=C1c2cc(-c3cnn(C4CC4)c3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.
What is the InChIKey of 6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one?
The InChIKey is RHRKCQIDEZCNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c32-24-20-10-15(17-11-26-31(13-17)19-8-9-19)4-5-16(20)12-29(24)22-3-1-2-21(27-22)23-28-25-14-30(23)18-6-7-18/h1-5,10-11,13-14,18-19H,6-9,12H2.
What are the key properties of 6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one?
6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one has a molecular weight of 423.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one is sourced from PubChem (CID 135351014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).