1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea

C20H21N5O2 — CID 53154121

IUPAC1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
SMILESO=C(NCc1ccco1)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C20H21N5O2/c26-20(21-14-17-7-4-12-27-17)22-16-6-3-5-15(13-16)18-8-9-19(24-23-18)25-10-1-2-11-25/h3-9,12-13H,1-2,10-11,14H2,(H2,21,22,26)
InChIKeyMDXUAOAICIRTPF-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.66
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea

1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea (PubChem CID 53154121) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
PubChem CID53154121
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
SMILESO=C(NCc1ccco1)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C20H21N5O2/c26-20(21-14-17-7-4-12-27-17)22-16-6-3-5-15(13-16)18-8-9-19(24-23-18)25-10-1-2-11-25/h3-9,12-13H,1-2,10-11,14H2,(H2,21,22,26)
InChIKeyMDXUAOAICIRTPF-UHFFFAOYSA-N
XLogP3.66
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea (CID 53154121) is 1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea is O=C(NCc1ccco1)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea?
The InChIKey is MDXUAOAICIRTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20(21-14-17-7-4-12-27-17)22-16-6-3-5-15(13-16)18-8-9-19(24-23-18)25-10-1-2-11-25/h3-9,12-13H,1-2,10-11,14H2,(H2,21,22,26).
What are the key properties of 1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea?
1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea has a molecular weight of 363.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 53154121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).