2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile

C21H14FN5O2 — CID 155295441

IUPAC2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCn1cc(-c2cnn(-c3ccccc3C#N)c2)c(C2=CC(F)C(=O)N=C2)cc1=O
InChIInChI=1S/C21H14FN5O2/c1-26-12-17(16(7-20(26)28)14-6-18(22)21(29)24-9-14)15-10-25-27(11-15)19-5-3-2-4-13(19)8-23/h2-7,9-12,18H,1H3
InChIKeyGMSUGUONHHKQNY-UHFFFAOYSA-N
MW387.37 g/mol
LogP2.44
Rot. Bonds3

About 2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile

2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (PubChem CID 155295441) has the molecular formula C21H14FN5O2 and a molecular weight of 387.37 g/mol. Its IUPAC name is 2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
PubChem CID155295441
Molecular FormulaC21H14FN5O2
Molecular Weight387.37 g/mol
Exact Mass387.11
IUPAC Name2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCn1cc(-c2cnn(-c3ccccc3C#N)c2)c(C2=CC(F)C(=O)N=C2)cc1=O
InChIInChI=1S/C21H14FN5O2/c1-26-12-17(16(7-20(26)28)14-6-18(22)21(29)24-9-14)15-10-25-27(11-15)19-5-3-2-4-13(19)8-23/h2-7,9-12,18H,1H3
InChIKeyGMSUGUONHHKQNY-UHFFFAOYSA-N
XLogP2.44
TPSA93.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (CID 155295441) is 2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is Cn1cc(-c2cnn(-c3ccccc3C#N)c2)c(C2=CC(F)C(=O)N=C2)cc1=O.
What is the InChIKey of 2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The InChIKey is GMSUGUONHHKQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O2/c1-26-12-17(16(7-20(26)28)14-6-18(22)21(29)24-9-14)15-10-25-27(11-15)19-5-3-2-4-13(19)8-23/h2-7,9-12,18H,1H3.
What are the key properties of 2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile has a molecular weight of 387.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-fluoro-2-oxo-3H-pyridin-5-yl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 155295441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).