N-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide

C23H22F2N8O2 — CID 86666063

IUPACN-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide
SMILESC/C(=N/NC(=O)CN1CCOCC1)c1ccc2nnc(C(F)(F)c3ccc4ncccc4c3)n2n1
InChIInChI=1S/C23H22F2N8O2/c1-15(27-29-21(34)14-32-9-11-35-12-10-32)18-6-7-20-28-30-22(33(20)31-18)23(24,25)17-4-5-19-16(13-17)3-2-8-26-19/h2-8,13H,9-12,14H2,1H3,(H,29,34)/b27-15-
InChIKeyOLORFKYWFLHSSB-DICXZTSXSA-N
MW480.48 g/mol
LogP1.99
Rot. Bonds6

About N-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide

N-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 86666063) has the molecular formula C23H22F2N8O2 and a molecular weight of 480.48 g/mol. Its IUPAC name is N-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide
PubChem CID86666063
Molecular FormulaC23H22F2N8O2
Molecular Weight480.48 g/mol
Exact Mass480.18
IUPAC NameN-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide
SMILESC/C(=N/NC(=O)CN1CCOCC1)c1ccc2nnc(C(F)(F)c3ccc4ncccc4c3)n2n1
InChIInChI=1S/C23H22F2N8O2/c1-15(27-29-21(34)14-32-9-11-35-12-10-32)18-6-7-20-28-30-22(33(20)31-18)23(24,25)17-4-5-19-16(13-17)3-2-8-26-19/h2-8,13H,9-12,14H2,1H3,(H,29,34)/b27-15-
InChIKeyOLORFKYWFLHSSB-DICXZTSXSA-N
XLogP1.99
TPSA109.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide with MolForge

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Related Compounds

Apy0201
CID 56927660
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Pyrazolo pyrimidine, 5l
CID 44520816
1-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(pyridin-3-yl)urea
CID 44606133
6-[Difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
CID 57654476
N-(6-(3H-imidazo[4,5-b]pyridin-6-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 53321410
2-[4-[4-[(7-Quinolin-8-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]piperidin-1-yl]acetamide
CID 57392677
2-[4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one
CID 117728473
N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine
CID 164612482
[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea
CID 50898365
[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
CID 50915827
N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide
CID 50915994

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide (CID 86666063) is N-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide is C/C(=N/NC(=O)CN1CCOCC1)c1ccc2nnc(C(F)(F)c3ccc4ncccc4c3)n2n1.
What is the InChIKey of N-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is OLORFKYWFLHSSB-DICXZTSXSA-N. The full InChI is InChI=1S/C23H22F2N8O2/c1-15(27-29-21(34)14-32-9-11-35-12-10-32)18-6-7-20-28-30-22(33(20)31-18)23(24,25)17-4-5-19-16(13-17)3-2-8-26-19/h2-8,13H,9-12,14H2,1H3,(H,29,34)/b27-15-.
What are the key properties of N-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide?
N-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 480.48 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 86666063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).