5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine

C22H20F2N4 — CID 22019245

IUPAC5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine
SMILESCC(C)C1=NNN(c2ccc(-c3ccccc3)nc2)C1c1c(F)cccc1F
InChIInChI=1S/C22H20F2N4/c1-14(2)21-22(20-17(23)9-6-10-18(20)24)28(27-26-21)16-11-12-19(25-13-16)15-7-4-3-5-8-15/h3-14,22,27H,1-2H3
InChIKeyDYRMSSGDEDBDIP-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.10
Rot. Bonds4

About 5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine

5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine (PubChem CID 22019245) has the molecular formula C22H20F2N4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine.

Molecular Properties

Compound Name5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine
PubChem CID22019245
Molecular FormulaC22H20F2N4
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine
SMILESCC(C)C1=NNN(c2ccc(-c3ccccc3)nc2)C1c1c(F)cccc1F
InChIInChI=1S/C22H20F2N4/c1-14(2)21-22(20-17(23)9-6-10-18(20)24)28(27-26-21)16-11-12-19(25-13-16)15-7-4-3-5-8-15/h3-14,22,27H,1-2H3
InChIKeyDYRMSSGDEDBDIP-UHFFFAOYSA-N
XLogP5.10
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine?
The IUPAC name of 5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine (CID 22019245) is 5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine.
What is the SMILES notation for 5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine?
The canonical SMILES for 5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine is CC(C)C1=NNN(c2ccc(-c3ccccc3)nc2)C1c1c(F)cccc1F.
What is the InChIKey of 5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine?
The InChIKey is DYRMSSGDEDBDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4/c1-14(2)21-22(20-17(23)9-6-10-18(20)24)28(27-26-21)16-11-12-19(25-13-16)15-7-4-3-5-8-15/h3-14,22,27H,1-2H3.
What are the key properties of 5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine?
5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine has a molecular weight of 378.43 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine is sourced from PubChem (CID 22019245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).