1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

C17H19FN6O — CID 118271504

About 1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (PubChem CID 118271504) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.

Molecular Properties

• Compound Name: 1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
• PubChem CID: 118271504
• Molecular Formula: C17H19FN6O
• Molecular Weight: 342.38 g/mol
• Exact Mass: 342.16
• IUPAC Name: 1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
• SMILES: CCNc1n[nH]c2c(F)c(NC(=O)NC(C)c3ccccc3)ncc12
• InChI: InChI=1S/C17H19FN6O/c1-3-19-15-12-9-20-16(13(18)14(12)23-24-15)22-17(25)21-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H2,19,23,24)(H2,20,21,22,25)
• InChIKey: BMURUAYAIRYLED-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 94.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.38
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?

The IUPAC name of 1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (CID 118271504) is 1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.

What is the SMILES notation for 1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?

The canonical SMILES for 1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is CCNc1n[nH]c2c(F)c(NC(=O)NC(C)c3ccccc3)ncc12.

What is the InChIKey of 1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?

The InChIKey is BMURUAYAIRYLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-3-19-15-12-9-20-16(13(18)14(12)23-24-15)22-17(25)21-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H2,19,23,24)(H2,20,21,22,25).

What are the key properties of 1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?

1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea has a molecular weight of 342.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 118271504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).