N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide

C24H21ClF5N5O3 — CID 172564595

About N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide

N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide (PubChem CID 172564595) has the molecular formula C24H21ClF5N5O3 and a molecular weight of 557.91 g/mol. Its IUPAC name is N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide
• PubChem CID: 172564595
• Molecular Formula: C24H21ClF5N5O3
• Molecular Weight: 557.91 g/mol
• Exact Mass: 557.13
• IUPAC Name: N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide
• SMILES: CCC1c2n[nH]c(=O)cc2CC(C)N1C(=O)Nc1cc(Cl)c(-c2cnc(OCC(F)(F)F)c(F)c2)cc1F
• InChI: InChI=1S/C24H21ClF5N5O3/c1-3-19-21-12(6-20(36)33-34-21)4-11(2)35(19)23(37)32-18-8-15(25)14(7-16(18)26)13-5-17(27)22(31-9-13)38-10-24(28,29)30/h5-9,11,19H,3-4,10H2,1-2H3,(H,32,37)(H,33,36)
• InChIKey: CPKOAPYSGGKWJB-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.91
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide?

The IUPAC name of N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide (CID 172564595) is N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide.

What is the SMILES notation for N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide?

The canonical SMILES for N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide is CCC1c2n[nH]c(=O)cc2CC(C)N1C(=O)Nc1cc(Cl)c(-c2cnc(OCC(F)(F)F)c(F)c2)cc1F.

What is the InChIKey of N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide?

The InChIKey is CPKOAPYSGGKWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF5N5O3/c1-3-19-21-12(6-20(36)33-34-21)4-11(2)35(19)23(37)32-18-8-15(25)14(7-16(18)26)13-5-17(27)22(31-9-13)38-10-24(28,29)30/h5-9,11,19H,3-4,10H2,1-2H3,(H,32,37)(H,33,36).

What are the key properties of N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide?

N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide has a molecular weight of 557.91 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide is sourced from PubChem (CID 172564595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).