2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone

C30H20FN7OS — CID 160569564

IUPAC2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2cccnc2)sc1C(=O)Cc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1
InChIInChI=1S/C30H20FN7OS/c1-18-29(40-30(33-18)20-5-4-13-32-16-20)24(39)15-22-17-38-26(34-22)12-11-23(36-38)28-27(19-7-9-21(31)10-8-19)35-25-6-2-3-14-37(25)28/h2-14,16-17H,15H2,1H3
InChIKeyRAJFMSBHQJHMOW-UHFFFAOYSA-N
MW545.60 g/mol
LogP6.10
Rot. Bonds6

About 2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone

2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 160569564) has the molecular formula C30H20FN7OS and a molecular weight of 545.60 g/mol. Its IUPAC name is 2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
PubChem CID160569564
Molecular FormulaC30H20FN7OS
Molecular Weight545.60 g/mol
Exact Mass545.14
IUPAC Name2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2cccnc2)sc1C(=O)Cc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1
InChIInChI=1S/C30H20FN7OS/c1-18-29(40-30(33-18)20-5-4-13-32-16-20)24(39)15-22-17-38-26(34-22)12-11-23(36-38)28-27(19-7-9-21(31)10-8-19)35-25-6-2-3-14-37(25)28/h2-14,16-17H,15H2,1H3
InChIKeyRAJFMSBHQJHMOW-UHFFFAOYSA-N
XLogP6.10
TPSA90.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.60
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone (CID 160569564) is 2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone is Cc1nc(-c2cccnc2)sc1C(=O)Cc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1.
What is the InChIKey of 2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is RAJFMSBHQJHMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20FN7OS/c1-18-29(40-30(33-18)20-5-4-13-32-16-20)24(39)15-22-17-38-26(34-22)12-11-23(36-38)28-27(19-7-9-21(31)10-8-19)35-25-6-2-3-14-37(25)28/h2-14,16-17H,15H2,1H3.
What are the key properties of 2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone?
2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 545.60 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 160569564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).