1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea

C₄₁H₄₁N₉O₄ — CID 137045421

About 1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea

1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea (PubChem CID 137045421) has the molecular formula C₄₁H₄₁N₉O₄ and a molecular weight of 723.84 g/mol. Its IUPAC name is 1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea.

Molecular Properties

• Compound Name: 1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea
• PubChem CID: 137045421
• Molecular Formula: C₄₁H₄₁N₉O₄
• Molecular Weight: 723.84 g/mol
• Exact Mass: 723.33
• IUPAC Name: 1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea
• SMILES: CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5n[nH]cc5c4)c3)c3ccccc23)n(-c2cccc(OCCN3CCOCC3)c2)n1
• InChI: InChI=1S/C41H41N9O4/c1-27(2)37-25-40(50(48-37)30-6-5-7-31(23-30)53-21-18-49-16-19-52-20-17-49)46-41(51)45-36-12-13-38(34-9-4-3-8-33(34)36)54-32-14-15-42-39(24-32)44-29-10-11-35-28(22-29)26-43-47-35/h3-15,22-27H,16-21H2,1-2H3,(H,42,44)(H,43,47)(H2,45,46,51)
• InChIKey: JLWPVMFZDGJCHA-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 143.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.84
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea?

The IUPAC name of 1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea (CID 137045421) is 1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea.

What is the SMILES notation for 1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea?

The canonical SMILES for 1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea is CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5n[nH]cc5c4)c3)c3ccccc23)n(-c2cccc(OCCN3CCOCC3)c2)n1.

What is the InChIKey of 1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea?

The InChIKey is JLWPVMFZDGJCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41N9O4/c1-27(2)37-25-40(50(48-37)30-6-5-7-31(23-30)53-21-18-49-16-19-52-20-17-49)46-41(51)45-36-12-13-38(34-9-4-3-8-33(34)36)54-32-14-15-42-39(24-32)44-29-10-11-35-28(22-29)26-43-47-35/h3-15,22-27H,16-21H2,1-2H3,(H,42,44)(H,43,47)(H2,45,46,51).

What are the key properties of 1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea?

1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea has a molecular weight of 723.84 g/mol, XLogP of 8.31, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea is sourced from PubChem (CID 137045421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 137045421 — identifiers, structure, computed properties (public domain)

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