2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide

C68H78F2N18O11 — CID 159392789

IUPAC2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
SMILESCCNC(=O)Cn1nc(-c2ccc(N3CC(C)(C)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CCC34COC4)nc2)ccc1=O.COc1ccc(-c2ccc(=O)n(CC(=O)NC(C)C)n2)cn1.O=C(Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O)NC1CC12CC2
InChIInChI=1S/C18H21N5O3.C18H23N5O2.C17H16F2N4O3.C15H18N4O3/c1-2-19-16(24)10-23-17(25)6-4-14(21-23)13-3-5-15(20-9-13)22-8-7-18(22)11-26-12-18;1-4-19-16(24)10-23-17(25)8-6-14(21-23)13-5-7-15(20-9-13)22-11-18(2,3)12-22;18-16(19)26-14-3-1-10(8-20-14)11-2-4-15(25)23(22-11)9-13(24)21-12-7-17(12)5-6-17;1-10(2)17-13(20)9-19-15(21)7-5-12(18-19)11-4-6-14(22-3)16-8-11/h3-6,9H,2,7-8,10-12H2,1H3,(H,19,24);5-9H,4,10-12H2,1-3H3,(H,19,24);1-4,8,12,16H,5-7,9H2,(H,21,24);4-8,10H,9H2,1-3H3,(H,17,20)
InChIKeyLMIHIDYKBACXKW-UHFFFAOYSA-N
MW1361.48 g/mol
LogP4.12
Rot. Bonds21

About 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide

2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 159392789) has the molecular formula C68H78F2N18O11 and a molecular weight of 1361.48 g/mol. Its IUPAC name is 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
PubChem CID159392789
Molecular FormulaC68H78F2N18O11
Molecular Weight1361.48 g/mol
Exact Mass1360.61
IUPAC Name2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
SMILESCCNC(=O)Cn1nc(-c2ccc(N3CC(C)(C)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CCC34COC4)nc2)ccc1=O.COc1ccc(-c2ccc(=O)n(CC(=O)NC(C)C)n2)cn1.O=C(Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O)NC1CC12CC2
InChIInChI=1S/C18H21N5O3.C18H23N5O2.C17H16F2N4O3.C15H18N4O3/c1-2-19-16(24)10-23-17(25)6-4-14(21-23)13-3-5-15(20-9-13)22-8-7-18(22)11-26-12-18;1-4-19-16(24)10-23-17(25)8-6-14(21-23)13-5-7-15(20-9-13)22-11-18(2,3)12-22;18-16(19)26-14-3-1-10(8-20-14)11-2-4-15(25)23(22-11)9-13(24)21-12-7-17(12)5-6-17;1-10(2)17-13(20)9-19-15(21)7-5-12(18-19)11-4-6-14(22-3)16-8-11/h3-6,9H,2,7-8,10-12H2,1H3,(H,19,24);5-9H,4,10-12H2,1-3H3,(H,19,24);1-4,8,12,16H,5-7,9H2,(H,21,24);4-8,10H,9H2,1-3H3,(H,17,20)
InChIKeyLMIHIDYKBACXKW-UHFFFAOYSA-N
XLogP4.12
TPSA341.69 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001361.48
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[2-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-[2-(ethylamino)-2-oxoethyl]-3-oxopyridazin-4-yl]ethyl]acetamide
CID 156486412
N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
CID 157065186
N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 158307268
2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]amino]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-[(3-methyl-1-bicyclo[1.1.1]pentanyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
CID 160060070
N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
CID 160324844
2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide
CID 160790153
2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
CID 157235046
2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-[(3-methyloxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
CID 158107980
2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-[(3-methyloxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 159121937

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide (CID 159392789) is 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide is CCNC(=O)Cn1nc(-c2ccc(N3CC(C)(C)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CCC34COC4)nc2)ccc1=O.COc1ccc(-c2ccc(=O)n(CC(=O)NC(C)C)n2)cn1.O=C(Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O)NC1CC12CC2.
What is the InChIKey of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is LMIHIDYKBACXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3.C18H23N5O2.C17H16F2N4O3.C15H18N4O3/c1-2-19-16(24)10-23-17(25)6-4-14(21-23)13-3-5-15(20-9-13)22-8-7-18(22)11-26-12-18;1-4-19-16(24)10-23-17(25)8-6-14(21-23)13-5-7-15(20-9-13)22-11-18(2,3)12-22;18-16(19)26-14-3-1-10(8-20-14)11-2-4-15(25)23(22-11)9-13(24)21-12-7-17(12)5-6-17;1-10(2)17-13(20)9-19-15(21)7-5-12(18-19)11-4-6-14(22-3)16-8-11/h3-6,9H,2,7-8,10-12H2,1H3,(H,19,24);5-9H,4,10-12H2,1-3H3,(H,19,24);1-4,8,12,16H,5-7,9H2,(H,21,24);4-8,10H,9H2,1-3H3,(H,17,20).
What are the key properties of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 1361.48 g/mol, XLogP of 4.12, 21 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 159392789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).