1-[1-(4-fluorophenyl)ethyl]-3-[4-(1-hydroxyethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C18H20FN5O3 — CID 123739355

About 1-[1-(4-fluorophenyl)ethyl]-3-[4-(1-hydroxyethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[1-(4-fluorophenyl)ethyl]-3-[4-(1-hydroxyethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 123739355) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-3-[4-(1-hydroxyethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

• Compound Name: 1-[1-(4-fluorophenyl)ethyl]-3-[4-(1-hydroxyethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• PubChem CID: 123739355
• Molecular Formula: C18H20FN5O3
• Molecular Weight: 373.39 g/mol
• Exact Mass: 373.16
• IUPAC Name: 1-[1-(4-fluorophenyl)ethyl]-3-[4-(1-hydroxyethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• SMILES: COc1n[nH]c2cc(NC(=O)NC(C)c3ccc(F)cc3)nc(C(C)O)c12
• InChI: InChI=1S/C18H20FN5O3/c1-9(11-4-6-12(19)7-5-11)20-18(26)22-14-8-13-15(16(21-14)10(2)25)17(27-3)24-23-13/h4-10,25H,1-3H3,(H,23,24)(H2,20,21,22,26)
• InChIKey: OTCJCIXFMXVGIP-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 112.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.39
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-[4-(1-hydroxyethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 123739355) is 1-[1-(4-fluorophenyl)ethyl]-3-[4-(1-hydroxyethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

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

The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-3-[4-(1-hydroxyethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is COc1n[nH]c2cc(NC(=O)NC(C)c3ccc(F)cc3)nc(C(C)O)c12.

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

The InChIKey is OTCJCIXFMXVGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-9(11-4-6-12(19)7-5-11)20-18(26)22-14-8-13-15(16(21-14)10(2)25)17(27-3)24-23-13/h4-10,25H,1-3H3,(H,23,24)(H2,20,21,22,26).

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

1-[1-(4-fluorophenyl)ethyl]-3-[4-(1-hydroxyethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 373.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-fluorophenyl)ethyl]-3-[4-(1-hydroxyethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 123739355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).