1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C21H18FN7O2 — CID 67308536

About 1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 67308536) has the molecular formula C21H18FN7O2 and a molecular weight of 419.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• PubChem CID: 67308536
• Molecular Formula: C21H18FN7O2
• Molecular Weight: 419.42 g/mol
• Exact Mass: 419.15
• IUPAC Name: 1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• SMILES: CC(=O)CNc1ncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1
• InChI: InChI=1S/C21H18FN7O2/c1-13(30)6-25-21-26-8-14(9-27-21)7-24-20(31)18-10-23-12-19-17(18)11-28-29(19)16-4-2-15(22)3-5-16/h2-5,8-12H,6-7H2,1H3,(H,24,31)(H,25,26,27)
• InChIKey: XLITXOPJCIIEOT-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 114.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.42
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 67308536) is 1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC(=O)CNc1ncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The InChIKey is XLITXOPJCIIEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O2/c1-13(30)6-25-21-26-8-14(9-27-21)7-24-20(31)18-10-23-12-19-17(18)11-28-29(19)16-4-2-15(22)3-5-16/h2-5,8-12H,6-7H2,1H3,(H,24,31)(H,25,26,27).

What are the key properties of 1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 419.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 67308536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).