4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide

C21H14FN5O2 — CID 137010680

IUPAC4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nn(-c3c(F)cccc3C#N)c3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C21H14FN5O2/c1-24-20(28)13-7-5-12(6-8-13)18-17-16(9-10-25-21(17)29)27(26-18)19-14(11-23)3-2-4-15(19)22/h2-10H,1H3,(H,24,28)(H,25,29)
InChIKeyDWAFBMFARCENDK-UHFFFAOYSA-N
MW387.37 g/mol
LogP2.75
Rot. Bonds3

About 4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide

4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide (PubChem CID 137010680) has the molecular formula C21H14FN5O2 and a molecular weight of 387.37 g/mol. Its IUPAC name is 4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide
PubChem CID137010680
Molecular FormulaC21H14FN5O2
Molecular Weight387.37 g/mol
Exact Mass387.11
IUPAC Name4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nn(-c3c(F)cccc3C#N)c3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C21H14FN5O2/c1-24-20(28)13-7-5-12(6-8-13)18-17-16(9-10-25-21(17)29)27(26-18)19-14(11-23)3-2-4-15(19)22/h2-10H,1H3,(H,24,28)(H,25,29)
InChIKeyDWAFBMFARCENDK-UHFFFAOYSA-N
XLogP2.75
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide?
The IUPAC name of 4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide (CID 137010680) is 4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide?
The canonical SMILES for 4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2nn(-c3c(F)cccc3C#N)c3cc[nH]c(=O)c23)cc1.
What is the InChIKey of 4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide?
The InChIKey is DWAFBMFARCENDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O2/c1-24-20(28)13-7-5-12(6-8-13)18-17-16(9-10-25-21(17)29)27(26-18)19-14(11-23)3-2-4-15(19)22/h2-10H,1H3,(H,24,28)(H,25,29).
What are the key properties of 4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide?
4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide has a molecular weight of 387.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyano-6-fluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 137010680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).