5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine

C18H14N4 — CID 175985054

IUPAC5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine
SMILESCc1cccnc1-c1ccc(-c2c[nH]c3nnccc23)cc1
InChIInChI=1S/C18H14N4/c1-12-3-2-9-19-17(12)14-6-4-13(5-7-14)16-11-20-18-15(16)8-10-21-22-18/h2-11H,1H3,(H,20,22)
InChIKeyIJLSIADLRDXYMU-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.00
Rot. Bonds2

About 5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine

5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine (PubChem CID 175985054) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine.

Molecular Properties

Compound Name5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine
PubChem CID175985054
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine
SMILESCc1cccnc1-c1ccc(-c2c[nH]c3nnccc23)cc1
InChIInChI=1S/C18H14N4/c1-12-3-2-9-19-17(12)14-6-4-13(5-7-14)16-11-20-18-15(16)8-10-21-22-18/h2-11H,1H3,(H,20,22)
InChIKeyIJLSIADLRDXYMU-UHFFFAOYSA-N
XLogP4.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine?
The IUPAC name of 5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine (CID 175985054) is 5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine.
What is the SMILES notation for 5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine?
The canonical SMILES for 5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine is Cc1cccnc1-c1ccc(-c2c[nH]c3nnccc23)cc1.
What is the InChIKey of 5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine?
The InChIKey is IJLSIADLRDXYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-12-3-2-9-19-17(12)14-6-4-13(5-7-14)16-11-20-18-15(16)8-10-21-22-18/h2-11H,1H3,(H,20,22).
What are the key properties of 5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine?
5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine has a molecular weight of 286.34 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine is sourced from PubChem (CID 175985054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).