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

IUPAC1-[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
SMILESCC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5n[nH]cc5c4)c3)c3ccccc23)n(-c2cccc(OCCN3CCOCC3)c2)n1
InChIInChI=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)
InChIKeyJLWPVMFZDGJCHA-UHFFFAOYSA-N
MW723.84 g/mol
LogP8.31
Rot. Bonds12

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 Name1-[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 CID137045421
Molecular FormulaC41H41N9O4
Molecular Weight723.84 g/mol
Exact Mass723.33
IUPAC Name1-[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
SMILESCC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5n[nH]cc5c4)c3)c3ccccc23)n(-c2cccc(OCCN3CCOCC3)c2)n1
InChIInChI=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)
InChIKeyJLWPVMFZDGJCHA-UHFFFAOYSA-N
XLogP8.31
TPSA143.48 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.84
LogP ≤ 58.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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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).