N-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C46H41ClF6N8O6 — CID 158390956

IUPACN-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(Cl)nn1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OCCO)nn1
InChIInChI=1S/C24H23F3N4O4.C22H18ClF3N4O2/c1-14-18(20-10-19(23(2)12-34-13-23)22(31-30-20)35-7-6-32)9-17(11-28-14)29-21(33)15-4-3-5-16(8-15)24(25,26)27;1-12-16(18-8-17(19(23)30-29-18)21(2)10-32-11-21)7-15(9-27-12)28-20(31)13-4-3-5-14(6-13)22(24,25)26/h3-5,8-11,32H,6-7,12-13H2,1-2H3,(H,29,33);3-9H,10-11H2,1-2H3,(H,28,31)
InChIKeyGWYODKCHCSBICQ-UHFFFAOYSA-N
MW951.32 g/mol
LogP8.84
Rot. Bonds11

About N-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 158390956) has the molecular formula C46H41ClF6N8O6 and a molecular weight of 951.32 g/mol. Its IUPAC name is N-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID158390956
Molecular FormulaC46H41ClF6N8O6
Molecular Weight951.32 g/mol
Exact Mass950.27
IUPAC NameN-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(Cl)nn1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OCCO)nn1
InChIInChI=1S/C24H23F3N4O4.C22H18ClF3N4O2/c1-14-18(20-10-19(23(2)12-34-13-23)22(31-30-20)35-7-6-32)9-17(11-28-14)29-21(33)15-4-3-5-16(8-15)24(25,26)27;1-12-16(18-8-17(19(23)30-29-18)21(2)10-32-11-21)7-15(9-27-12)28-20(31)13-4-3-5-14(6-13)22(24,25)26/h3-5,8-11,32H,6-7,12-13H2,1-2H3,(H,29,33);3-9H,10-11H2,1-2H3,(H,28,31)
InChIKeyGWYODKCHCSBICQ-UHFFFAOYSA-N
XLogP8.84
TPSA183.46 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500951.32
LogP ≤ 58.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

US10167279, Example 16
CID 134609394
US10167279, Example 127
CID 134609458
US10167279, Example 11
CID 134609524
US10167279, Example 128
CID 134609661
US10167279, Example 37
CID 134609730
US10167279, Example 129
CID 134609665
N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-[2-[[2-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethoxy]pyridin-4-yl]-6-methylpyridin-3-yl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 135139020
6-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide;N-[3-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 157861053
6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158163297
2-[3-(difluoromethyl)phenyl]-1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]ethanone;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[3-methoxy-5-(oxetan-3-yl)phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[3-methoxy-5-(oxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 158499476
4-(aminomethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-(3-methyloxetan-3-yl)-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159007169
2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 159155224

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 158390956) is N-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(Cl)nn1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OCCO)nn1.
What is the InChIKey of N-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is GWYODKCHCSBICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4.C22H18ClF3N4O2/c1-14-18(20-10-19(23(2)12-34-13-23)22(31-30-20)35-7-6-32)9-17(11-28-14)29-21(33)15-4-3-5-16(8-15)24(25,26)27;1-12-16(18-8-17(19(23)30-29-18)21(2)10-32-11-21)7-15(9-27-12)28-20(31)13-4-3-5-14(6-13)22(24,25)26/h3-5,8-11,32H,6-7,12-13H2,1-2H3,(H,29,33);3-9H,10-11H2,1-2H3,(H,28,31).
What are the key properties of N-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 951.32 g/mol, XLogP of 8.84, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158390956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).