5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

C20H14ClF3N4O3 — CID 55511508

IUPAC5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESO=c1c(Cl)c(N(Cc2ccco2)Cc2ccco2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H14ClF3N4O3/c21-18-16(27(11-14-3-1-7-30-14)12-15-4-2-8-31-15)10-26-28(19(18)29)17-6-5-13(9-25-17)20(22,23)24/h1-10H,11-12H2
InChIKeyANBPUPWYIJASIQ-UHFFFAOYSA-N
MW450.80 g/mol
LogP4.69
Rot. Bonds6

About 5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (PubChem CID 55511508) has the molecular formula C20H14ClF3N4O3 and a molecular weight of 450.80 g/mol. Its IUPAC name is 5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
PubChem CID55511508
Molecular FormulaC20H14ClF3N4O3
Molecular Weight450.80 g/mol
Exact Mass450.07
IUPAC Name5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESO=c1c(Cl)c(N(Cc2ccco2)Cc2ccco2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H14ClF3N4O3/c21-18-16(27(11-14-3-1-7-30-14)12-15-4-2-8-31-15)10-26-28(19(18)29)17-6-5-13(9-25-17)20(22,23)24/h1-10H,11-12H2
InChIKeyANBPUPWYIJASIQ-UHFFFAOYSA-N
XLogP4.69
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.80
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The IUPAC name of 5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (CID 55511508) is 5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.
What is the SMILES notation for 5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The canonical SMILES for 5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is O=c1c(Cl)c(N(Cc2ccco2)Cc2ccco2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The InChIKey is ANBPUPWYIJASIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O3/c21-18-16(27(11-14-3-1-7-30-14)12-15-4-2-8-31-15)10-26-28(19(18)29)17-6-5-13(9-25-17)20(22,23)24/h1-10H,11-12H2.
What are the key properties of 5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one has a molecular weight of 450.80 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is sourced from PubChem (CID 55511508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).