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

C30H22FN7O — CID 118538970

IUPACN-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CC3)ccc2n1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C30H22FN7O/c31-23-8-6-19(7-9-23)28-29(37(18-33-28)24-10-11-24)25-12-13-27-34-26(17-38(27)36-25)35-30(39)21-4-1-3-20(15-21)22-5-2-14-32-16-22/h1-9,12-18,24H,10-11H2,(H,35,39)
InChIKeyOJYJUKUGNFYFMD-UHFFFAOYSA-N
MW515.55 g/mol
LogP6.05
Rot. Bonds6

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

N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide (PubChem CID 118538970) has the molecular formula C30H22FN7O and a molecular weight of 515.55 g/mol. Its IUPAC name is N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
PubChem CID118538970
Molecular FormulaC30H22FN7O
Molecular Weight515.55 g/mol
Exact Mass515.19
IUPAC NameN-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CC3)ccc2n1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C30H22FN7O/c31-23-8-6-19(7-9-23)28-29(37(18-33-28)24-10-11-24)25-12-13-27-34-26(17-38(27)36-25)35-30(39)21-4-1-3-20(15-21)22-5-2-14-32-16-22/h1-9,12-18,24H,10-11H2,(H,35,39)
InChIKeyOJYJUKUGNFYFMD-UHFFFAOYSA-N
XLogP6.05
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.55
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The IUPAC name of N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide (CID 118538970) is N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The canonical SMILES for N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CC3)ccc2n1)c1cccc(-c2cccnc2)c1.
What is the InChIKey of N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The InChIKey is OJYJUKUGNFYFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22FN7O/c31-23-8-6-19(7-9-23)28-29(37(18-33-28)24-10-11-24)25-12-13-27-34-26(17-38(27)36-25)35-30(39)21-4-1-3-20(15-21)22-5-2-14-32-16-22/h1-9,12-18,24H,10-11H2,(H,35,39).
What are the key properties of N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide has a molecular weight of 515.55 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 118538970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).