4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine

C38H56Cl3N11O5 — CID 158562389

IUPAC4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine
SMILESC.C.CC(C)Oc1nnc(Cl)cc1N1CCOCC1.Cc1ncc(N)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1.Clc1cc(N2CCOCC2)c(Cl)nn1
InChIInChI=1S/C17H23N5O2.C11H16ClN3O2.C8H9Cl2N3O.2CH4/c1-11(2)24-17-16(22-4-6-23-7-5-22)9-15(20-21-17)14-8-13(18)10-19-12(14)3;1-8(2)17-11-9(7-10(12)13-14-11)15-3-5-16-6-4-15;9-7-5-6(8(10)12-11-7)13-1-3-14-4-2-13;;/h8-11H,4-7,18H2,1-3H3;7-8H,3-6H2,1-2H3;5H,1-4H2;2*1H4
InChIKeyHRAVTGNSQWBLHA-UHFFFAOYSA-N
MW853.30 g/mol
LogP6.70
Rot. Bonds8

About 4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine

4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine (PubChem CID 158562389) has the molecular formula C38H56Cl3N11O5 and a molecular weight of 853.30 g/mol. Its IUPAC name is 4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine
PubChem CID158562389
Molecular FormulaC38H56Cl3N11O5
Molecular Weight853.30 g/mol
Exact Mass851.35
IUPAC Name4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine
SMILESC.C.CC(C)Oc1nnc(Cl)cc1N1CCOCC1.Cc1ncc(N)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1.Clc1cc(N2CCOCC2)c(Cl)nn1
InChIInChI=1S/C17H23N5O2.C11H16ClN3O2.C8H9Cl2N3O.2CH4/c1-11(2)24-17-16(22-4-6-23-7-5-22)9-15(20-21-17)14-8-13(18)10-19-12(14)3;1-8(2)17-11-9(7-10(12)13-14-11)15-3-5-16-6-4-15;9-7-5-6(8(10)12-11-7)13-1-3-14-4-2-13;;/h8-11H,4-7,18H2,1-3H3;7-8H,3-6H2,1-2H3;5H,1-4H2;2*1H4
InChIKeyHRAVTGNSQWBLHA-UHFFFAOYSA-N
XLogP6.70
TPSA172.12 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500853.30
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine with MolForge

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Related Compounds

5-(6-(2,2-Difluoroethoxy)-5-morpholinopyridazin-3-yl)-6-methylpyridin-3-amine
CID 90464912
2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridine-4-carboxamide;6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-amine
CID 144717437
5-(6-hept-1-en-4-yloxy-5-piperidin-1-ylpyridazin-3-yl)-6-methyl-N-[1-[6-(trifluoromethyl)pyridazin-4-yl]ethenyl]pyridin-3-amine
CID 163551750
N'-[2-[6-(5-chloro-2-fluorophenyl)-4-[(2-cyclopropyl-4-pyridinyl)amino]pyridazin-3-yl]oxyethyl]-N-methyl-N'-propylethane-1,2-diamine
CID 169683667
N'-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-yl]-6-(trifluoromethyl)pyridazine-4-carboximidamide
CID 150123807
N'-[6-chloro-5-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)pyridin-3-yl]-6-(trifluoromethyl)pyridazine-4-carboximidamide
CID 150517253
6-methyl-5-(5-morpholino-6-((tetrahydro-2H-pyran-4-yl)oxy)pyridazin-3-yl)pyridin-3-amine
CID 90456268
5-(6-Ethoxy-5-morpholinopyridazin-3-yl)-6-methylpyridin-3-amine
CID 90456778
5-(6-Isopropoxy-5-morpholinopyridazin-3-yl)-6-methylpyridin-3-amine
CID 117610081
4-[5-(5-Chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine
CID 130178701
N-(2-cyclopropyl-4-pyridinyl)-5-(6-ethoxy-5-piperidin-1-ylpyridazin-3-yl)-6-methylpyridin-3-amine
CID 134379581
4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine
CID 134593657

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine?
The IUPAC name of 4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine (CID 158562389) is 4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine.
What is the SMILES notation for 4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine?
The canonical SMILES for 4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine is C.C.CC(C)Oc1nnc(Cl)cc1N1CCOCC1.Cc1ncc(N)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1.Clc1cc(N2CCOCC2)c(Cl)nn1.
What is the InChIKey of 4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine?
The InChIKey is HRAVTGNSQWBLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.C11H16ClN3O2.C8H9Cl2N3O.2CH4/c1-11(2)24-17-16(22-4-6-23-7-5-22)9-15(20-21-17)14-8-13(18)10-19-12(14)3;1-8(2)17-11-9(7-10(12)13-14-11)15-3-5-16-6-4-15;9-7-5-6(8(10)12-11-7)13-1-3-14-4-2-13;;/h8-11H,4-7,18H2,1-3H3;7-8H,3-6H2,1-2H3;5H,1-4H2;2*1H4.
What are the key properties of 4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine?
4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine has a molecular weight of 853.30 g/mol, XLogP of 6.70, 8 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine is sourced from PubChem (CID 158562389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).