4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one

C22H16FN7O — CID 135355363

IUPAC4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one
SMILESCn1cc(-c2cnn(-c3ccccc3-c3nn[nH]n3)c2)c(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C22H16FN7O/c1-29-13-19(18(10-21(29)31)14-6-8-16(23)9-7-14)15-11-24-30(12-15)20-5-3-2-4-17(20)22-25-27-28-26-22/h2-13H,1H3,(H,25,26,27,28)
InChIKeySLJKVPQYTQLMOK-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.22
Rot. Bonds4

About 4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one

4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one (PubChem CID 135355363) has the molecular formula C22H16FN7O and a molecular weight of 413.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one
PubChem CID135355363
Molecular FormulaC22H16FN7O
Molecular Weight413.42 g/mol
Exact Mass413.14
IUPAC Name4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one
SMILESCn1cc(-c2cnn(-c3ccccc3-c3nn[nH]n3)c2)c(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C22H16FN7O/c1-29-13-19(18(10-21(29)31)14-6-8-16(23)9-7-14)15-11-24-30(12-15)20-5-3-2-4-17(20)22-25-27-28-26-22/h2-13H,1H3,(H,25,26,27,28)
InChIKeySLJKVPQYTQLMOK-UHFFFAOYSA-N
XLogP3.22
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one (CID 135355363) is 4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one is Cn1cc(-c2cnn(-c3ccccc3-c3nn[nH]n3)c2)c(-c2ccc(F)cc2)cc1=O.
What is the InChIKey of 4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one?
The InChIKey is SLJKVPQYTQLMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN7O/c1-29-13-19(18(10-21(29)31)14-6-8-16(23)9-7-14)15-11-24-30(12-15)20-5-3-2-4-17(20)22-25-27-28-26-22/h2-13H,1H3,(H,25,26,27,28).
What are the key properties of 4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one?
4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one has a molecular weight of 413.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).