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

C33H21F2N7O — CID 118538701

IUPACN-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C33H21F2N7O/c34-25-8-6-21(7-9-25)31-32(41(20-37-31)27-12-10-26(35)11-13-27)28-14-15-30-38-29(19-42(30)40-28)39-33(43)23-4-1-3-22(17-23)24-5-2-16-36-18-24/h1-20H,(H,39,43)
InChIKeyOVAQQEIHWXEEOD-UHFFFAOYSA-N
MW569.58 g/mol
LogP6.84
Rot. Bonds6

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

N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide (PubChem CID 118538701) has the molecular formula C33H21F2N7O and a molecular weight of 569.58 g/mol. Its IUPAC name is N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
PubChem CID118538701
Molecular FormulaC33H21F2N7O
Molecular Weight569.58 g/mol
Exact Mass569.18
IUPAC NameN-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C33H21F2N7O/c34-25-8-6-21(7-9-25)31-32(41(20-37-31)27-12-10-26(35)11-13-27)28-14-15-30-38-29(19-42(30)40-28)39-33(43)23-4-1-3-22(17-23)24-5-2-16-36-18-24/h1-20H,(H,39,43)
InChIKeyOVAQQEIHWXEEOD-UHFFFAOYSA-N
XLogP6.84
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.58
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The IUPAC name of N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide (CID 118538701) is N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The canonical SMILES for N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1)c1cccc(-c2cccnc2)c1.
What is the InChIKey of N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The InChIKey is OVAQQEIHWXEEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21F2N7O/c34-25-8-6-21(7-9-25)31-32(41(20-37-31)27-12-10-26(35)11-13-27)28-14-15-30-38-29(19-42(30)40-28)39-33(43)23-4-1-3-22(17-23)24-5-2-16-36-18-24/h1-20H,(H,39,43).
What are the key properties of N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide has a molecular weight of 569.58 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 118538701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).