1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea

C27H29N5O2 — CID 11408441

IUPAC1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CCN2CCCCC2)c1
InChIInChI=1S/C27H29N5O2/c33-27(29-22-9-12-25(13-10-22)34-24-7-3-1-4-8-24)30-23-11-14-26-21(19-23)20-28-32(26)18-17-31-15-5-2-6-16-31/h1,3-4,7-14,19-20H,2,5-6,15-18H2,(H2,29,30,33)
InChIKeyIEUODIZTZFEFFC-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.96
Rot. Bonds7

About 1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea

1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea (PubChem CID 11408441) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea
PubChem CID11408441
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CCN2CCCCC2)c1
InChIInChI=1S/C27H29N5O2/c33-27(29-22-9-12-25(13-10-22)34-24-7-3-1-4-8-24)30-23-11-14-26-21(19-23)20-28-32(26)18-17-31-15-5-2-6-16-31/h1,3-4,7-14,19-20H,2,5-6,15-18H2,(H2,29,30,33)
InChIKeyIEUODIZTZFEFFC-UHFFFAOYSA-N
XLogP5.96
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea?
The IUPAC name of 1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea (CID 11408441) is 1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea.
What is the SMILES notation for 1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea?
The canonical SMILES for 1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea is O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CCN2CCCCC2)c1.
What is the InChIKey of 1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea?
The InChIKey is IEUODIZTZFEFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c33-27(29-22-9-12-25(13-10-22)34-24-7-3-1-4-8-24)30-23-11-14-26-21(19-23)20-28-32(26)18-17-31-15-5-2-6-16-31/h1,3-4,7-14,19-20H,2,5-6,15-18H2,(H2,29,30,33).
What are the key properties of 1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea?
1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea has a molecular weight of 455.56 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea is sourced from PubChem (CID 11408441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).