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

C31H24F2N8O2 — CID 118538680

IUPACN-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C31H24F2N8O2/c32-22-3-1-20(2-4-22)29-30(40(19-35-29)24-7-5-23(33)6-8-24)25-9-10-27-36-26(18-41(27)38-25)37-31(42)21-11-12-34-28(17-21)39-13-15-43-16-14-39/h1-12,17-19H,13-16H2,(H,37,42)
InChIKeyPJKMRRJEURICSL-UHFFFAOYSA-N
MW578.58 g/mol
LogP5.01
Rot. Bonds6

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

N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 118538680) has the molecular formula C31H24F2N8O2 and a molecular weight of 578.58 g/mol. Its IUPAC name is N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID118538680
Molecular FormulaC31H24F2N8O2
Molecular Weight578.58 g/mol
Exact Mass578.20
IUPAC NameN-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C31H24F2N8O2/c32-22-3-1-20(2-4-22)29-30(40(19-35-29)24-7-5-23(33)6-8-24)25-9-10-27-36-26(18-41(27)38-25)37-31(42)21-11-12-34-28(17-21)39-13-15-43-16-14-39/h1-12,17-19H,13-16H2,(H,37,42)
InChIKeyPJKMRRJEURICSL-UHFFFAOYSA-N
XLogP5.01
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.58
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 118538680) is N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1)c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is PJKMRRJEURICSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F2N8O2/c32-22-3-1-20(2-4-22)29-30(40(19-35-29)24-7-5-23(33)6-8-24)25-9-10-27-36-26(18-41(27)38-25)37-31(42)21-11-12-34-28(17-21)39-13-15-43-16-14-39/h1-12,17-19H,13-16H2,(H,37,42).
What are the key properties of N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 578.58 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 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]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 118538680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).