[2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

C22H20FN7O2 — CID 72703796

IUPAC[2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCOC2Cn2ccc(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C22H20FN7O2/c1-15-2-7-19(30-24-9-10-25-30)21(26-15)22(31)29-12-13-32-20(29)14-28-11-8-18(27-28)16-3-5-17(23)6-4-16/h2-11,20H,12-14H2,1H3
InChIKeyQTGVVJKIDVNSKU-UHFFFAOYSA-N
MW433.45 g/mol
LogP2.47
Rot. Bonds5

About [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

[2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 72703796) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
PubChem CID72703796
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name[2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCOC2Cn2ccc(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C22H20FN7O2/c1-15-2-7-19(30-24-9-10-25-30)21(26-15)22(31)29-12-13-32-20(29)14-28-11-8-18(27-28)16-3-5-17(23)6-4-16/h2-11,20H,12-14H2,1H3
InChIKeyQTGVVJKIDVNSKU-UHFFFAOYSA-N
XLogP2.47
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (CID 72703796) is [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCOC2Cn2ccc(-c3ccc(F)cc3)n2)n1.
What is the InChIKey of [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is QTGVVJKIDVNSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2/c1-15-2-7-19(30-24-9-10-25-30)21(26-15)22(31)29-12-13-32-20(29)14-28-11-8-18(27-28)16-3-5-17(23)6-4-16/h2-11,20H,12-14H2,1H3.
What are the key properties of [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
[2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 433.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 72703796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).