2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

C25H23FN4O2 — CID 23151542

IUPAC2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCc1c(-c2ccccc2)c(=O)n2[nH]c(C(C)(C)COCc3ccc(F)cc3)nc2c1C#N
InChIInChI=1S/C25H23FN4O2/c1-16-20(13-27)22-28-24(25(2,3)15-32-14-17-9-11-19(26)12-10-17)29-30(22)23(31)21(16)18-7-5-4-6-8-18/h4-12H,14-15H2,1-3H3,(H,28,29)
InChIKeyNCHSTGKUKVUTAK-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.50
Rot. Bonds6

About 2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 23151542) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
PubChem CID23151542
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCc1c(-c2ccccc2)c(=O)n2[nH]c(C(C)(C)COCc3ccc(F)cc3)nc2c1C#N
InChIInChI=1S/C25H23FN4O2/c1-16-20(13-27)22-28-24(25(2,3)15-32-14-17-9-11-19(26)12-10-17)29-30(22)23(31)21(16)18-7-5-4-6-8-18/h4-12H,14-15H2,1-3H3,(H,28,29)
InChIKeyNCHSTGKUKVUTAK-UHFFFAOYSA-N
XLogP4.50
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The IUPAC name of 2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CID 23151542) is 2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is Cc1c(-c2ccccc2)c(=O)n2[nH]c(C(C)(C)COCc3ccc(F)cc3)nc2c1C#N.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The InChIKey is NCHSTGKUKVUTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-16-20(13-27)22-28-24(25(2,3)15-32-14-17-9-11-19(26)12-10-17)29-30(22)23(31)21(16)18-7-5-4-6-8-18/h4-12H,14-15H2,1-3H3,(H,28,29).
What are the key properties of 2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile has a molecular weight of 430.48 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is sourced from PubChem (CID 23151542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).