7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine

C18H10ClF3N6 — CID 58945612

IUPAC7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine
SMILESFC(F)(F)c1ccc(Nc2cnnc3cc(-c4ncccc4Cl)cnc23)nc1
InChIInChI=1S/C18H10ClF3N6/c19-12-2-1-5-23-16(12)10-6-13-17(25-7-10)14(9-26-28-13)27-15-4-3-11(8-24-15)18(20,21)22/h1-9H,(H,24,27,28)
InChIKeyWKCZDLMFYQRJDF-UHFFFAOYSA-N
MW402.77 g/mol
LogP4.90
Rot. Bonds3

About 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine

7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine (PubChem CID 58945612) has the molecular formula C18H10ClF3N6 and a molecular weight of 402.77 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine
PubChem CID58945612
Molecular FormulaC18H10ClF3N6
Molecular Weight402.77 g/mol
Exact Mass402.06
IUPAC Name7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine
SMILESFC(F)(F)c1ccc(Nc2cnnc3cc(-c4ncccc4Cl)cnc23)nc1
InChIInChI=1S/C18H10ClF3N6/c19-12-2-1-5-23-16(12)10-6-13-17(25-7-10)14(9-26-28-13)27-15-4-3-11(8-24-15)18(20,21)22/h1-9H,(H,24,27,28)
InChIKeyWKCZDLMFYQRJDF-UHFFFAOYSA-N
XLogP4.90
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.77
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine (CID 58945612) is 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine is FC(F)(F)c1ccc(Nc2cnnc3cc(-c4ncccc4Cl)cnc23)nc1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine?
The InChIKey is WKCZDLMFYQRJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N6/c19-12-2-1-5-23-16(12)10-6-13-17(25-7-10)14(9-26-28-13)27-15-4-3-11(8-24-15)18(20,21)22/h1-9H,(H,24,27,28).
What are the key properties of 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine?
7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine has a molecular weight of 402.77 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazin-4-amine is sourced from PubChem (CID 58945612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).