1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C21H19FN6O2 — CID 71554797

About 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 71554797) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

• Compound Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• PubChem CID: 71554797
• Molecular Formula: C21H19FN6O2
• Molecular Weight: 406.42 g/mol
• Exact Mass: 406.16
• IUPAC Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• SMILES: C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(=O)n(C)c3)c2cn1)c1ccc(F)cc1
• InChI: InChI=1S/C21H19FN6O2/c1-12(13-3-6-15(22)7-4-13)24-21(30)25-18-9-17-16(10-23-18)20(27-26-17)14-5-8-19(29)28(2)11-14/h3-12H,1-2H3,(H,26,27)(H2,23,24,25,30)/t12-/m1/s1
• InChIKey: HHKRXGAKPXPOCF-GFCCVEGCSA-N
• XLogP: 3.35
• TPSA: 104.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.42
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 71554797) is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(=O)n(C)c3)c2cn1)c1ccc(F)cc1.

What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

The InChIKey is HHKRXGAKPXPOCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-12(13-3-6-15(22)7-4-13)24-21(30)25-18-9-17-16(10-23-18)20(27-26-17)14-5-8-19(29)28(2)11-14/h3-12H,1-2H3,(H,26,27)(H2,23,24,25,30)/t12-/m1/s1.

What are the key properties of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 406.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 71554797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).