6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide

C33H34ClFN12O5S — CID 168893461

IUPAC6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCC.CCNC(=O)Cn1nc(-c2nnc(N3CCOCC3)o2)ccc1=O.O=c1ccc(-c2nnc(-c3cncc(Cl)c3)s2)nn1Cc1cncc(F)c1
InChIInChI=1S/C17H10ClFN6OS.C14H18N6O4.C2H6/c18-12-4-11(6-21-7-12)16-22-23-17(27-16)14-1-2-15(26)25(24-14)9-10-3-13(19)8-20-5-10;1-2-15-11(21)9-20-12(22)4-3-10(18-20)13-16-17-14(24-13)19-5-7-23-8-6-19;1-2/h1-8H,9H2;3-4H,2,5-9H2,1H3,(H,15,21);1-2H3
InChIKeyWHAOPMXDHOUSQQ-UHFFFAOYSA-N
MW765.23 g/mol
LogP3.35
Rot. Bonds9

About 6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide

6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 168893461) has the molecular formula C33H34ClFN12O5S and a molecular weight of 765.23 g/mol. Its IUPAC name is 6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound Name6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID168893461
Molecular FormulaC33H34ClFN12O5S
Molecular Weight765.23 g/mol
Exact Mass764.22
IUPAC Name6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCC.CCNC(=O)Cn1nc(-c2nnc(N3CCOCC3)o2)ccc1=O.O=c1ccc(-c2nnc(-c3cncc(Cl)c3)s2)nn1Cc1cncc(F)c1
InChIInChI=1S/C17H10ClFN6OS.C14H18N6O4.C2H6/c18-12-4-11(6-21-7-12)16-22-23-17(27-16)14-1-2-15(26)25(24-14)9-10-3-13(19)8-20-5-10;1-2-15-11(21)9-20-12(22)4-3-10(18-20)13-16-17-14(24-13)19-5-7-23-8-6-19;1-2/h1-8H,9H2;3-4H,2,5-9H2,1H3,(H,15,21);1-2H3
InChIKeyWHAOPMXDHOUSQQ-UHFFFAOYSA-N
XLogP3.35
TPSA201.83 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide with MolForge

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Related Compounds

N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide
CID 168893409
6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one
CID 168893319
2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 166850822
6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one
CID 168893482
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 121051681
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7659841
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 4582591
6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one
CID 154662310
ethyl 2-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7664397
6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7663844
3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzamide
CID 59534499
[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid
CID 67420778

Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of 6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 168893461) is 6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for 6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for 6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide is CC.CCNC(=O)Cn1nc(-c2nnc(N3CCOCC3)o2)ccc1=O.O=c1ccc(-c2nnc(-c3cncc(Cl)c3)s2)nn1Cc1cncc(F)c1.
What is the InChIKey of 6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is WHAOPMXDHOUSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN6OS.C14H18N6O4.C2H6/c18-12-4-11(6-21-7-12)16-22-23-17(27-16)14-1-2-15(26)25(24-14)9-10-3-13(19)8-20-5-10;1-2-15-11(21)9-20-12(22)4-3-10(18-20)13-16-17-14(24-13)19-5-7-23-8-6-19;1-2/h1-8H,9H2;3-4H,2,5-9H2,1H3,(H,15,21);1-2H3.
What are the key properties of 6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide?
6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 765.23 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one;ethane;N-ethyl-2-[3-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 168893461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).