6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide

C42H32ClF3N10O2 — CID 162591932

IUPAC6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cnc3c(Cc4cc(C)nc(NC(=O)c5cnc6c(C)c(C)c(-c7ccccc7Cl)nn56)c4)cc(-c4ccccc4C(F)(F)F)nn23)c1
InChIInChI=1S/C42H32ClF3N10O2/c1-22-13-28(19-47-18-22)40(57)52-36-21-49-39-27(17-33(53-56(36)39)29-9-5-7-11-31(29)42(44,45)46)15-26-14-23(2)50-35(16-26)51-41(58)34-20-48-38-25(4)24(3)37(54-55(34)38)30-10-6-8-12-32(30)43/h5-14,16-21H,15H2,1-4H3,(H,52,57)(H,50,51,58)
InChIKeyMZPIKYHPILHSCI-UHFFFAOYSA-N
MW801.23 g/mol
LogP8.90
Rot. Bonds8

About 6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide

6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 162591932) has the molecular formula C42H32ClF3N10O2 and a molecular weight of 801.23 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID162591932
Molecular FormulaC42H32ClF3N10O2
Molecular Weight801.23 g/mol
Exact Mass800.24
IUPAC Name6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cnc3c(Cc4cc(C)nc(NC(=O)c5cnc6c(C)c(C)c(-c7ccccc7Cl)nn56)c4)cc(-c4ccccc4C(F)(F)F)nn23)c1
InChIInChI=1S/C42H32ClF3N10O2/c1-22-13-28(19-47-18-22)40(57)52-36-21-49-39-27(17-33(53-56(36)39)29-9-5-7-11-31(29)42(44,45)46)15-26-14-23(2)50-35(16-26)51-41(58)34-20-48-38-25(4)24(3)37(54-55(34)38)30-10-6-8-12-32(30)43/h5-14,16-21H,15H2,1-4H3,(H,52,57)(H,50,51,58)
InChIKeyMZPIKYHPILHSCI-UHFFFAOYSA-N
XLogP8.90
TPSA144.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.23
LogP ≤ 58.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 162591932) is 6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cncc(C(=O)Nc2cnc3c(Cc4cc(C)nc(NC(=O)c5cnc6c(C)c(C)c(-c7ccccc7Cl)nn56)c4)cc(-c4ccccc4C(F)(F)F)nn23)c1.
What is the InChIKey of 6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is MZPIKYHPILHSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32ClF3N10O2/c1-22-13-28(19-47-18-22)40(57)52-36-21-49-39-27(17-33(53-56(36)39)29-9-5-7-11-31(29)42(44,45)46)15-26-14-23(2)50-35(16-26)51-41(58)34-20-48-38-25(4)24(3)37(54-55(34)38)30-10-6-8-12-32(30)43/h5-14,16-21H,15H2,1-4H3,(H,52,57)(H,50,51,58).
What are the key properties of 6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 801.23 g/mol, XLogP of 8.90, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-7,8-dimethyl-N-[6-methyl-4-[[3-[(5-methylpyridine-3-carbonyl)amino]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 162591932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).