N-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

C18H19FN4O2 — CID 52910277

IUPACN-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1nc2c(c(C)c1CC(=O)NCc1ccc(F)cc1)c(=O)[nH]n2C
InChIInChI=1S/C18H19FN4O2/c1-10-14(11(2)21-17-16(10)18(25)22-23(17)3)8-15(24)20-9-12-4-6-13(19)7-5-12/h4-7H,8-9H2,1-3H3,(H,20,24)(H,22,25)
InChIKeyIIOQSQOPXMFROQ-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.88
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (PubChem CID 52910277) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
PubChem CID52910277
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1nc2c(c(C)c1CC(=O)NCc1ccc(F)cc1)c(=O)[nH]n2C
InChIInChI=1S/C18H19FN4O2/c1-10-14(11(2)21-17-16(10)18(25)22-23(17)3)8-15(24)20-9-12-4-6-13(19)7-5-12/h4-7H,8-9H2,1-3H3,(H,20,24)(H,22,25)
InChIKeyIIOQSQOPXMFROQ-UHFFFAOYSA-N
XLogP1.88
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (CID 52910277) is N-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is Cc1nc2c(c(C)c1CC(=O)NCc1ccc(F)cc1)c(=O)[nH]n2C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The InChIKey is IIOQSQOPXMFROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-10-14(11(2)21-17-16(10)18(25)22-23(17)3)8-15(24)20-9-12-4-6-13(19)7-5-12/h4-7H,8-9H2,1-3H3,(H,20,24)(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide has a molecular weight of 342.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 52910277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).