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

C18H10ClF3N6 — CID 58945584

IUPACN-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine
SMILESFC(F)(F)c1cccnc1-c1ccc2c(Nc3ccc(Cl)cn3)cnnc2n1
InChIInChI=1S/C18H10ClF3N6/c19-10-3-6-15(24-8-10)26-14-9-25-28-17-11(14)4-5-13(27-17)16-12(18(20,21)22)2-1-7-23-16/h1-9H,(H,24,26,27,28)
InChIKeyNEEMRUJPQJFJQD-UHFFFAOYSA-N
MW402.77 g/mol
LogP4.90
Rot. Bonds3

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

N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine (PubChem CID 58945584) has the molecular formula C18H10ClF3N6 and a molecular weight of 402.77 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine
PubChem CID58945584
Molecular FormulaC18H10ClF3N6
Molecular Weight402.77 g/mol
Exact Mass402.06
IUPAC NameN-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine
SMILESFC(F)(F)c1cccnc1-c1ccc2c(Nc3ccc(Cl)cn3)cnnc2n1
InChIInChI=1S/C18H10ClF3N6/c19-10-3-6-15(24-8-10)26-14-9-25-28-17-11(14)4-5-13(27-17)16-12(18(20,21)22)2-1-7-23-16/h1-9H,(H,24,26,27,28)
InChIKeyNEEMRUJPQJFJQD-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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine (CID 58945584) is N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine is FC(F)(F)c1cccnc1-c1ccc2c(Nc3ccc(Cl)cn3)cnnc2n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine?
The InChIKey is NEEMRUJPQJFJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N6/c19-10-3-6-15(24-8-10)26-14-9-25-28-17-11(14)4-5-13(27-17)16-12(18(20,21)22)2-1-7-23-16/h1-9H,(H,24,26,27,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine?
N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-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 N-(5-chloro-2-pyridinyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine is sourced from PubChem (CID 58945584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).