1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea

C27H20N8O5 — CID 137301438

About 1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea

1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea (PubChem CID 137301438) has the molecular formula C27H20N8O5 and a molecular weight of 536.51 g/mol. Its IUPAC name is 1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea.

Molecular Properties

• Compound Name: 1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea
• PubChem CID: 137301438
• Molecular Formula: C27H20N8O5
• Molecular Weight: 536.51 g/mol
• Exact Mass: 536.16
• IUPAC Name: 1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea
• SMILES: COc1ccc(-n2nc(O)cc2NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)cn1
• InChI: InChI=1S/C27H20N8O5/c1-39-24-9-6-15(13-29-24)35-21(12-22(36)34-35)32-27(38)31-18-7-8-19(17-5-3-2-4-16(17)18)40-20-10-11-28-26-25(20)30-14-23(37)33-26/h2-14H,1H3,(H,34,36)(H,28,33,37)(H2,31,32,38)
• InChIKey: FATOXYLCYBNCRA-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 169.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.51
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea?

The IUPAC name of 1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea (CID 137301438) is 1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea.

What is the SMILES notation for 1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea?

The canonical SMILES for 1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea is COc1ccc(-n2nc(O)cc2NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)cn1.

What is the InChIKey of 1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea?

The InChIKey is FATOXYLCYBNCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N8O5/c1-39-24-9-6-15(13-29-24)35-21(12-22(36)34-35)32-27(38)31-18-7-8-19(17-5-3-2-4-16(17)18)40-20-10-11-28-26-25(20)30-14-23(37)33-26/h2-14H,1H3,(H,34,36)(H,28,33,37)(H2,31,32,38).

What are the key properties of 1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea?

1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea has a molecular weight of 536.51 g/mol, XLogP of 4.20, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-hydroxy-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea is sourced from PubChem (CID 137301438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).