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

C32H26FN7O2 — CID 118538778

IUPACN-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCOCC3)ccc2n1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C32H26FN7O2/c33-25-8-6-21(7-9-25)30-31(39(20-35-30)26-12-15-42-16-13-26)27-10-11-29-36-28(19-40(29)38-27)37-32(41)23-4-1-3-22(17-23)24-5-2-14-34-18-24/h1-11,14,17-20,26H,12-13,15-16H2,(H,37,41)
InChIKeyUZEMKIULWVKKBP-UHFFFAOYSA-N
MW559.61 g/mol
LogP6.06
Rot. Bonds6

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

N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide (PubChem CID 118538778) has the molecular formula C32H26FN7O2 and a molecular weight of 559.61 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
PubChem CID118538778
Molecular FormulaC32H26FN7O2
Molecular Weight559.61 g/mol
Exact Mass559.21
IUPAC NameN-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCOCC3)ccc2n1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C32H26FN7O2/c33-25-8-6-21(7-9-25)30-31(39(20-35-30)26-12-15-42-16-13-26)27-10-11-29-36-28(19-40(29)38-27)37-32(41)23-4-1-3-22(17-23)24-5-2-14-34-18-24/h1-11,14,17-20,26H,12-13,15-16H2,(H,37,41)
InChIKeyUZEMKIULWVKKBP-UHFFFAOYSA-N
XLogP6.06
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.61
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide (CID 118538778) is N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCOCC3)ccc2n1)c1cccc(-c2cccnc2)c1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The InChIKey is UZEMKIULWVKKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN7O2/c33-25-8-6-21(7-9-25)30-31(39(20-35-30)26-12-15-42-16-13-26)27-10-11-29-36-28(19-40(29)38-27)37-32(41)23-4-1-3-22(17-23)24-5-2-14-34-18-24/h1-11,14,17-20,26H,12-13,15-16H2,(H,37,41).
What are the key properties of N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide has a molecular weight of 559.61 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 118538778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).