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

C27H26FN7O — CID 118538628

IUPACN-[6-[5-(4-fluorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CCc3cccnc3)ccc2n1
InChIInChI=1S/C27H26FN7O/c1-27(2,3)26(36)32-22-16-35-23(31-22)11-10-21(33-35)25-24(19-6-8-20(28)9-7-19)30-17-34(25)14-12-18-5-4-13-29-15-18/h4-11,13,15-17H,12,14H2,1-3H3,(H,32,36)
InChIKeyLYPRAUKYSPLKRF-UHFFFAOYSA-N
MW483.55 g/mol
LogP5.02
Rot. Bonds6

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

N-[6-[5-(4-fluorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 118538628) has the molecular formula C27H26FN7O and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
PubChem CID118538628
Molecular FormulaC27H26FN7O
Molecular Weight483.55 g/mol
Exact Mass483.22
IUPAC NameN-[6-[5-(4-fluorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CCc3cccnc3)ccc2n1
InChIInChI=1S/C27H26FN7O/c1-27(2,3)26(36)32-22-16-35-23(31-22)11-10-21(33-35)25-24(19-6-8-20(28)9-7-19)30-17-34(25)14-12-18-5-4-13-29-15-18/h4-11,13,15-17H,12,14H2,1-3H3,(H,32,36)
InChIKeyLYPRAUKYSPLKRF-UHFFFAOYSA-N
XLogP5.02
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 55.02
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)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (CID 118538628) is N-[6-[5-(4-fluorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CCc3cccnc3)ccc2n1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is LYPRAUKYSPLKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O/c1-27(2,3)26(36)32-22-16-35-23(31-22)11-10-21(33-35)25-24(19-6-8-20(28)9-7-19)30-17-34(25)14-12-18-5-4-13-29-15-18/h4-11,13,15-17H,12,14H2,1-3H3,(H,32,36).
What are the key properties of N-[6-[5-(4-fluorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
N-[6-[5-(4-fluorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 483.55 g/mol, XLogP of 5.02, 6 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)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118538628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).