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

C19H11ClF3N5 — CID 58945576

IUPACN-(4-chlorophenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine
SMILESFC(F)(F)c1cccnc1-c1ccc2c(Nc3ccc(Cl)cc3)cnnc2n1
InChIInChI=1S/C19H11ClF3N5/c20-11-3-5-12(6-4-11)26-16-10-25-28-18-13(16)7-8-15(27-18)17-14(19(21,22)23)2-1-9-24-17/h1-10H,(H,26,27,28)
InChIKeyWCVWZARBYURSHS-UHFFFAOYSA-N
MW401.78 g/mol
LogP5.50
Rot. Bonds3

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

N-(4-chlorophenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine (PubChem CID 58945576) has the molecular formula C19H11ClF3N5 and a molecular weight of 401.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine
PubChem CID58945576
Molecular FormulaC19H11ClF3N5
Molecular Weight401.78 g/mol
Exact Mass401.07
IUPAC NameN-(4-chlorophenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine
SMILESFC(F)(F)c1cccnc1-c1ccc2c(Nc3ccc(Cl)cc3)cnnc2n1
InChIInChI=1S/C19H11ClF3N5/c20-11-3-5-12(6-4-11)26-16-10-25-28-18-13(16)7-8-15(27-18)17-14(19(21,22)23)2-1-9-24-17/h1-10H,(H,26,27,28)
InChIKeyWCVWZARBYURSHS-UHFFFAOYSA-N
XLogP5.50
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.78
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine (CID 58945576) is N-(4-chlorophenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine is FC(F)(F)c1cccnc1-c1ccc2c(Nc3ccc(Cl)cc3)cnnc2n1.
What is the InChIKey of N-(4-chlorophenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine?
The InChIKey is WCVWZARBYURSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N5/c20-11-3-5-12(6-4-11)26-16-10-25-28-18-13(16)7-8-15(27-18)17-14(19(21,22)23)2-1-9-24-17/h1-10H,(H,26,27,28).
What are the key properties of N-(4-chlorophenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine?
N-(4-chlorophenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine has a molecular weight of 401.78 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine is sourced from PubChem (CID 58945576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).