N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide

C30H24FN7O — CID 118539001

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide
SMILESCc1c(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)cccc1-c1cccnc1
InChIInChI=1S/C30H24FN7O/c1-18-23(21-6-5-15-32-16-21)7-4-8-24(18)30(39)35-26-17-38-27(34-26)14-13-25(36-38)29-28(33-19(2)37(29)3)20-9-11-22(31)12-10-20/h4-17H,1-3H3,(H,35,39)
InChIKeyAYWMPSJRMAWGTF-UHFFFAOYSA-N
MW517.57 g/mol
LogP5.87
Rot. Bonds5

About N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide (PubChem CID 118539001) has the molecular formula C30H24FN7O and a molecular weight of 517.57 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide
PubChem CID118539001
Molecular FormulaC30H24FN7O
Molecular Weight517.57 g/mol
Exact Mass517.20
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide
SMILESCc1c(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)cccc1-c1cccnc1
InChIInChI=1S/C30H24FN7O/c1-18-23(21-6-5-15-32-16-21)7-4-8-24(18)30(39)35-26-17-38-27(34-26)14-13-25(36-38)29-28(33-19(2)37(29)3)20-9-11-22(31)12-10-20/h4-17H,1-3H3,(H,35,39)
InChIKeyAYWMPSJRMAWGTF-UHFFFAOYSA-N
XLogP5.87
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.57
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide (CID 118539001) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide is Cc1c(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)cccc1-c1cccnc1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide?
The InChIKey is AYWMPSJRMAWGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN7O/c1-18-23(21-6-5-15-32-16-21)7-4-8-24(18)30(39)35-26-17-38-27(34-26)14-13-25(36-38)29-28(33-19(2)37(29)3)20-9-11-22(31)12-10-20/h4-17H,1-3H3,(H,35,39).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide has a molecular weight of 517.57 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 118539001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).