2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide

C33H37F5N8O6 — CID 157048552

IUPAC2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
SMILESCC.CC1(NC(=O)Cn2nc(-c3ccc(OC(F)F)nc3)ccc2=O)CCC1.CCNC(=O)Cn1nc(-c2ccc(OC(F)(F)F)nc2)ccc1=O
InChIInChI=1S/C17H18F2N4O3.C14H13F3N4O3.C2H6/c1-17(7-2-8-17)21-13(24)10-23-15(25)6-4-12(22-23)11-3-5-14(20-9-11)26-16(18)19;1-2-18-11(22)8-21-13(23)6-4-10(20-21)9-3-5-12(19-7-9)24-14(15,16)17;1-2/h3-6,9,16H,2,7-8,10H2,1H3,(H,21,24);3-7H,2,8H2,1H3,(H,18,22);1-2H3
InChIKeyOVHDQASUSHHMQQ-UHFFFAOYSA-N
MW736.70 g/mol
LogP4.33
Rot. Bonds11

About 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide

2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide (PubChem CID 157048552) has the molecular formula C33H37F5N8O6 and a molecular weight of 736.70 g/mol. Its IUPAC name is 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
PubChem CID157048552
Molecular FormulaC33H37F5N8O6
Molecular Weight736.70 g/mol
Exact Mass736.28
IUPAC Name2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
SMILESCC.CC1(NC(=O)Cn2nc(-c3ccc(OC(F)F)nc3)ccc2=O)CCC1.CCNC(=O)Cn1nc(-c2ccc(OC(F)(F)F)nc2)ccc1=O
InChIInChI=1S/C17H18F2N4O3.C14H13F3N4O3.C2H6/c1-17(7-2-8-17)21-13(24)10-23-15(25)6-4-12(22-23)11-3-5-14(20-9-11)26-16(18)19;1-2-18-11(22)8-21-13(23)6-4-10(20-21)9-3-5-12(19-7-9)24-14(15,16)17;1-2/h3-6,9,16H,2,7-8,10H2,1H3,(H,21,24);3-7H,2,8H2,1H3,(H,18,22);1-2H3
InChIKeyOVHDQASUSHHMQQ-UHFFFAOYSA-N
XLogP4.33
TPSA172.22 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.70
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide with MolForge

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Related Compounds

(E)-3-(4-Methoxy-phenyl)-N-[1-pyridin-3-yl-meth-(E)-ylidene-hydrazinocarbonylmethyl]-acrylamide
CID 6882383
6-[6-(Difluoromethoxy)pyridin-3-yl]-2-[(5-fluoropyridin-3-yl)methyl]pyridazin-3-one
CID 147766146
6-[6-(Difluoromethoxy)pyridin-3-yl]-2-[[5-(trifluoromethyl)pyridin-3-yl]methyl]pyridazin-3-one
CID 153582997
6-[6-(Difluoromethoxy)pyridin-3-yl]-2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 146940554
5-((3-(6-(difluoromethoxy)pyridin-3-yl)-6-oxopyridazin-1(6H)-yl)methyl)nicotinonitrile
CID 153583129
2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 51044964
[(3Z)-4-amino-3-[[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]methylidene]cyclohexa-1,5-dien-1-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 117749701
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[5-(trifluoromethyl)pyridin-3-yl]propanamide
CID 134481240
2-[3-(2-methoxypyridin-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 139389922
2-[2-[4-(6-Methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]pyridazin-3-one
CID 146318003
N-[6-(2,4-difluorophenoxy)-5-[1-methyl-5-(methylamino)-6-oxopyridazin-3-yl]-3-pyridinyl]prop-2-enamide
CID 146575863
N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]pyridazin-1-yl]acetamide
CID 146794523

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?
The IUPAC name of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide (CID 157048552) is 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?
The canonical SMILES for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide is CC.CC1(NC(=O)Cn2nc(-c3ccc(OC(F)F)nc3)ccc2=O)CCC1.CCNC(=O)Cn1nc(-c2ccc(OC(F)(F)F)nc2)ccc1=O.
What is the InChIKey of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?
The InChIKey is OVHDQASUSHHMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3.C14H13F3N4O3.C2H6/c1-17(7-2-8-17)21-13(24)10-23-15(25)6-4-12(22-23)11-3-5-14(20-9-11)26-16(18)19;1-2-18-11(22)8-21-13(23)6-4-10(20-21)9-3-5-12(19-7-9)24-14(15,16)17;1-2/h3-6,9,16H,2,7-8,10H2,1H3,(H,21,24);3-7H,2,8H2,1H3,(H,18,22);1-2H3.
What are the key properties of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?
2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide has a molecular weight of 736.70 g/mol, XLogP of 4.33, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;ethane;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide is sourced from PubChem (CID 157048552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).