N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide

C24H16FN7O2 — CID 118538958

IUPACN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1
InChIInChI=1S/C24H16FN7O2/c1-14-17(13-34-30-14)24(33)27-19-12-32-21(26-19)10-9-18(29-32)23-22(15-5-7-16(25)8-6-15)28-20-4-2-3-11-31(20)23/h2-13H,1H3,(H,27,33)
InChIKeyXFKMCWFNWPEKGW-UHFFFAOYSA-N
MW453.44 g/mol
LogP4.40
Rot. Bonds4

About N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 118538958) has the molecular formula C24H16FN7O2 and a molecular weight of 453.44 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID118538958
Molecular FormulaC24H16FN7O2
Molecular Weight453.44 g/mol
Exact Mass453.13
IUPAC NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1
InChIInChI=1S/C24H16FN7O2/c1-14-17(13-34-30-14)24(33)27-19-12-32-21(26-19)10-9-18(29-32)23-22(15-5-7-16(25)8-6-15)28-20-4-2-3-11-31(20)23/h2-13H,1H3,(H,27,33)
InChIKeyXFKMCWFNWPEKGW-UHFFFAOYSA-N
XLogP4.40
TPSA102.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide (CID 118538958) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is XFKMCWFNWPEKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN7O2/c1-14-17(13-34-30-14)24(33)27-19-12-32-21(26-19)10-9-18(29-32)23-22(15-5-7-16(25)8-6-15)28-20-4-2-3-11-31(20)23/h2-13H,1H3,(H,27,33).
What are the key properties of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 453.44 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118538958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).