5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine

C16H9ClF2N6 — CID 86634137

IUPAC5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine
SMILESFc1cccc(-c2nc3cnn(Cc4cnc(Cl)nc4)cc-3n2)c1F
InChIInChI=1S/C16H9ClF2N6/c17-16-20-4-9(5-21-16)7-25-8-13-12(6-22-25)23-15(24-13)10-2-1-3-11(18)14(10)19/h1-6,8H,7H2
InChIKeySUAPJPCNRXYGNF-UHFFFAOYSA-N
MW358.74 g/mol
LogP3.21
Rot. Bonds3

About 5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine

5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine (PubChem CID 86634137) has the molecular formula C16H9ClF2N6 and a molecular weight of 358.74 g/mol. Its IUPAC name is 5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine.

Molecular Properties

Compound Name5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine
PubChem CID86634137
Molecular FormulaC16H9ClF2N6
Molecular Weight358.74 g/mol
Exact Mass358.05
IUPAC Name5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine
SMILESFc1cccc(-c2nc3cnn(Cc4cnc(Cl)nc4)cc-3n2)c1F
InChIInChI=1S/C16H9ClF2N6/c17-16-20-4-9(5-21-16)7-25-8-13-12(6-22-25)23-15(24-13)10-2-1-3-11(18)14(10)19/h1-6,8H,7H2
InChIKeySUAPJPCNRXYGNF-UHFFFAOYSA-N
XLogP3.21
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.74
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine?
The IUPAC name of 5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine (CID 86634137) is 5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine.
What is the SMILES notation for 5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine?
The canonical SMILES for 5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine is Fc1cccc(-c2nc3cnn(Cc4cnc(Cl)nc4)cc-3n2)c1F.
What is the InChIKey of 5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine?
The InChIKey is SUAPJPCNRXYGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N6/c17-16-20-4-9(5-21-16)7-25-8-13-12(6-22-25)23-15(24-13)10-2-1-3-11(18)14(10)19/h1-6,8H,7H2.
What are the key properties of 5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine?
5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine has a molecular weight of 358.74 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloropyrimidin-5-yl)methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine is sourced from PubChem (CID 86634137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).