5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole

C21H21F2N5 — CID 118857310

IUPAC5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole
SMILESCN1C(C)(C)c2ccc(-c3ccc(-c4nc(F)nc(F)n4)cn3)cc2C1(C)C
InChIInChI=1S/C21H21F2N5/c1-20(2)14-8-6-12(10-15(14)21(3,4)28(20)5)16-9-7-13(11-24-16)17-25-18(22)27-19(23)26-17/h6-11H,1-5H3
InChIKeyNISYCXQYFXALOR-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.29
Rot. Bonds2

About 5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole

5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole (PubChem CID 118857310) has the molecular formula C21H21F2N5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole.

Molecular Properties

Compound Name5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole
PubChem CID118857310
Molecular FormulaC21H21F2N5
Molecular Weight381.43 g/mol
Exact Mass381.18
IUPAC Name5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole
SMILESCN1C(C)(C)c2ccc(-c3ccc(-c4nc(F)nc(F)n4)cn3)cc2C1(C)C
InChIInChI=1S/C21H21F2N5/c1-20(2)14-8-6-12(10-15(14)21(3,4)28(20)5)16-9-7-13(11-24-16)17-25-18(22)27-19(23)26-17/h6-11H,1-5H3
InChIKeyNISYCXQYFXALOR-UHFFFAOYSA-N
XLogP4.29
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole?
The IUPAC name of 5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole (CID 118857310) is 5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole.
What is the SMILES notation for 5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole?
The canonical SMILES for 5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole is CN1C(C)(C)c2ccc(-c3ccc(-c4nc(F)nc(F)n4)cn3)cc2C1(C)C.
What is the InChIKey of 5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole?
The InChIKey is NISYCXQYFXALOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5/c1-20(2)14-8-6-12(10-15(14)21(3,4)28(20)5)16-9-7-13(11-24-16)17-25-18(22)27-19(23)26-17/h6-11H,1-5H3.
What are the key properties of 5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole?
5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole has a molecular weight of 381.43 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole is sourced from PubChem (CID 118857310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).