N-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C40H25F7N10O2 — CID 126708925

IUPACN-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)cc(Cc2cc(-c3ccccc3C(F)(F)F)nn3c(C(=O)Nc4ccncc4F)cnc23)n1
InChIInChI=1S/C40H25F7N10O2/c1-21-14-23(52-37(58)33-19-49-35-11-10-30(54-56(33)35)25-6-2-4-8-27(25)39(42,43)44)17-24(51-21)15-22-16-32(26-7-3-5-9-28(26)40(45,46)47)55-57-34(20-50-36(22)57)38(59)53-31-12-13-48-18-29(31)41/h2-14,16-20H,15H2,1H3,(H,48,53,59)(H,51,52,58)
InChIKeyLSOZOGYOBZRIAT-UHFFFAOYSA-N
MW810.69 g/mol
LogP8.48
Rot. Bonds8

About N-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126708925) has the molecular formula C40H25F7N10O2 and a molecular weight of 810.69 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126708925
Molecular FormulaC40H25F7N10O2
Molecular Weight810.69 g/mol
Exact Mass810.21
IUPAC NameN-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)cc(Cc2cc(-c3ccccc3C(F)(F)F)nn3c(C(=O)Nc4ccncc4F)cnc23)n1
InChIInChI=1S/C40H25F7N10O2/c1-21-14-23(52-37(58)33-19-49-35-11-10-30(54-56(33)35)25-6-2-4-8-27(25)39(42,43)44)17-24(51-21)15-22-16-32(26-7-3-5-9-28(26)40(45,46)47)55-57-34(20-50-36(22)57)38(59)53-31-12-13-48-18-29(31)41/h2-14,16-20H,15H2,1H3,(H,48,53,59)(H,51,52,58)
InChIKeyLSOZOGYOBZRIAT-UHFFFAOYSA-N
XLogP8.48
TPSA144.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.69
LogP ≤ 58.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 126708925) is N-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)cc(Cc2cc(-c3ccccc3C(F)(F)F)nn3c(C(=O)Nc4ccncc4F)cnc23)n1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is LSOZOGYOBZRIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25F7N10O2/c1-21-14-23(52-37(58)33-19-49-35-11-10-30(54-56(33)35)25-6-2-4-8-27(25)39(42,43)44)17-24(51-21)15-22-16-32(26-7-3-5-9-28(26)40(45,46)47)55-57-34(20-50-36(22)57)38(59)53-31-12-13-48-18-29(31)41/h2-14,16-20H,15H2,1H3,(H,48,53,59)(H,51,52,58).
What are the key properties of N-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 810.69 g/mol, XLogP of 8.48, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-8-[[6-methyl-4-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126708925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).