1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea

C24H27N5O3 — CID 43991823

IUPAC1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1
InChIInChI=1S/C24H27N5O3/c1-31-19-9-11-22(32-2)21(16-19)26-24(30)25-18-8-6-7-17(15-18)20-10-12-23(28-27-20)29-13-4-3-5-14-29/h6-12,15-16H,3-5,13-14H2,1-2H3,(H2,25,26,30)
InChIKeyYZVAYKWOIHNHKV-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.80
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea

1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea (PubChem CID 43991823) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
PubChem CID43991823
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1
InChIInChI=1S/C24H27N5O3/c1-31-19-9-11-22(32-2)21(16-19)26-24(30)25-18-8-6-7-17(15-18)20-10-12-23(28-27-20)29-13-4-3-5-14-29/h6-12,15-16H,3-5,13-14H2,1-2H3,(H2,25,26,30)
InChIKeyYZVAYKWOIHNHKV-UHFFFAOYSA-N
XLogP4.80
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea (CID 43991823) is 1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea is COc1ccc(OC)c(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea?
The InChIKey is YZVAYKWOIHNHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-31-19-9-11-22(32-2)21(16-19)26-24(30)25-18-8-6-7-17(15-18)20-10-12-23(28-27-20)29-13-4-3-5-14-29/h6-12,15-16H,3-5,13-14H2,1-2H3,(H2,25,26,30).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea?
1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea has a molecular weight of 433.51 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 43991823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).