6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C44H37F3N10O6 — CID 137159121

IUPAC6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cnc3c(-c4ccc(C(=O)Nc5c(C)nc6c(C)cc(-c7ccccc7C(F)(F)F)nn56)[nH]c4=O)cc(-c4cccc(OCC(O)CO)c4)nn23)c1
InChIInChI=1S/C44H37F3N10O6/c1-22-14-24(3)49-37(15-22)52-43(62)36-19-48-40-31(18-34(54-56(36)40)26-8-7-9-28(17-26)63-21-27(59)20-58)29-12-13-33(51-41(29)60)42(61)53-39-25(4)50-38-23(2)16-35(55-57(38)39)30-10-5-6-11-32(30)44(45,46)47/h5-19,27,58-59H,20-21H2,1-4H3,(H,51,60)(H,53,61)(H,49,52,62)
InChIKeyATWYWPDDXNHMAU-UHFFFAOYSA-N
MW858.84 g/mol
LogP6.35
Rot. Bonds11

About 6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 137159121) has the molecular formula C44H37F3N10O6 and a molecular weight of 858.84 g/mol. Its IUPAC name is 6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID137159121
Molecular FormulaC44H37F3N10O6
Molecular Weight858.84 g/mol
Exact Mass858.28
IUPAC Name6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cnc3c(-c4ccc(C(=O)Nc5c(C)nc6c(C)cc(-c7ccccc7C(F)(F)F)nn56)[nH]c4=O)cc(-c4cccc(OCC(O)CO)c4)nn23)c1
InChIInChI=1S/C44H37F3N10O6/c1-22-14-24(3)49-37(15-22)52-43(62)36-19-48-40-31(18-34(54-56(36)40)26-8-7-9-28(17-26)63-21-27(59)20-58)29-12-13-33(51-41(29)60)42(61)53-39-25(4)50-38-23(2)16-35(55-57(38)39)30-10-5-6-11-32(30)44(45,46)47/h5-19,27,58-59H,20-21H2,1-4H3,(H,51,60)(H,53,61)(H,49,52,62)
InChIKeyATWYWPDDXNHMAU-UHFFFAOYSA-N
XLogP6.35
TPSA214.02 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500858.84
LogP ≤ 56.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Related Compounds

US11440913, Example 39
CID 154697478
US11440913, Example 38
CID 154697499
US11440913, Example 186
CID 155074093
US11440913, Example 73
CID 155074094
US11440913, Example 187
CID 155074104
US11440913, Example 334
CID 155074128
US11440913, Example 62
CID 155074148
US11440913, Example 59
CID 155074165
US11440913, Example 194
CID 155074170
US11440913, Example 60
CID 155074180
US11440913, Example 66
CID 155074194
US11440913, Example 61
CID 155074216

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 137159121) is 6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc(C)nc(NC(=O)c2cnc3c(-c4ccc(C(=O)Nc5c(C)nc6c(C)cc(-c7ccccc7C(F)(F)F)nn56)[nH]c4=O)cc(-c4cccc(OCC(O)CO)c4)nn23)c1.
What is the InChIKey of 6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ATWYWPDDXNHMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37F3N10O6/c1-22-14-24(3)49-37(15-22)52-43(62)36-19-48-40-31(18-34(54-56(36)40)26-8-7-9-28(17-26)63-21-27(59)20-58)29-12-13-33(51-41(29)60)42(61)53-39-25(4)50-38-23(2)16-35(55-57(38)39)30-10-5-6-11-32(30)44(45,46)47/h5-19,27,58-59H,20-21H2,1-4H3,(H,51,60)(H,53,61)(H,49,52,62).
What are the key properties of 6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 858.84 g/mol, XLogP of 6.35, 11 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 137159121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).