N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1-methylpyrazol-3-yl)benzamide

C30H21FN8O — CID 118538706

IUPACN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(-c2cccc(C(=O)Nc3cn4nc(-c5c(-c6ccc(F)cc6)nc6ccccn56)ccc4n3)c2)n1
InChIInChI=1S/C30H21FN8O/c1-37-16-14-23(35-37)20-5-4-6-21(17-20)30(40)33-25-18-39-27(32-25)13-12-24(36-39)29-28(19-8-10-22(31)11-9-19)34-26-7-2-3-15-38(26)29/h2-18H,1H3,(H,33,40)
InChIKeySWLXZTDIGOSSGK-UHFFFAOYSA-N
MW528.55 g/mol
LogP5.50
Rot. Bonds5

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

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1-methylpyrazol-3-yl)benzamide (PubChem CID 118538706) has the molecular formula C30H21FN8O and a molecular weight of 528.55 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-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1-methylpyrazol-3-yl)benzamide
PubChem CID118538706
Molecular FormulaC30H21FN8O
Molecular Weight528.55 g/mol
Exact Mass528.18
IUPAC NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(-c2cccc(C(=O)Nc3cn4nc(-c5c(-c6ccc(F)cc6)nc6ccccn56)ccc4n3)c2)n1
InChIInChI=1S/C30H21FN8O/c1-37-16-14-23(35-37)20-5-4-6-21(17-20)30(40)33-25-18-39-27(32-25)13-12-24(36-39)29-28(19-8-10-22(31)11-9-19)34-26-7-2-3-15-38(26)29/h2-18H,1H3,(H,33,40)
InChIKeySWLXZTDIGOSSGK-UHFFFAOYSA-N
XLogP5.50
TPSA94.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.55
LogP ≤ 55.50
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-(1-methylpyrazol-3-yl)benzamide 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-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1-methylpyrazol-3-yl)benzamide (CID 118538706) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1-methylpyrazol-3-yl)benzamide.
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-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(-c2cccc(C(=O)Nc3cn4nc(-c5c(-c6ccc(F)cc6)nc6ccccn56)ccc4n3)c2)n1.
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-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is SWLXZTDIGOSSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21FN8O/c1-37-16-14-23(35-37)20-5-4-6-21(17-20)30(40)33-25-18-39-27(32-25)13-12-24(36-39)29-28(19-8-10-22(31)11-9-19)34-26-7-2-3-15-38(26)29/h2-18H,1H3,(H,33,40).
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-(1-methylpyrazol-3-yl)benzamide?
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 528.55 g/mol, XLogP of 5.50, 5 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-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 118538706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).