2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine

C24H23FN6 — CID 68516255

IUPAC2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCc1cc(N2C[C@@H]3C[C@H]2CN3C)nn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C24H23FN6/c1-15-11-21(30-14-19-12-20(30)13-29(19)2)28-31-23(17-7-9-26-10-8-17)22(27-24(15)31)16-3-5-18(25)6-4-16/h3-11,19-20H,12-14H2,1-2H3/t19-,20-/m0/s1
InChIKeyUXKKAJDICHRYBX-PMACEKPBSA-N
MW414.49 g/mol
LogP3.80
Rot. Bonds3

About 2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine

2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 68516255) has the molecular formula C24H23FN6 and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID68516255
Molecular FormulaC24H23FN6
Molecular Weight414.49 g/mol
Exact Mass414.20
IUPAC Name2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCc1cc(N2C[C@@H]3C[C@H]2CN3C)nn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C24H23FN6/c1-15-11-21(30-14-19-12-20(30)13-29(19)2)28-31-23(17-7-9-26-10-8-17)22(27-24(15)31)16-3-5-18(25)6-4-16/h3-11,19-20H,12-14H2,1-2H3/t19-,20-/m0/s1
InChIKeyUXKKAJDICHRYBX-PMACEKPBSA-N
XLogP3.80
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25143825
6-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(4-fluorophenyl)-8-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
CID 67016766
4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine
CID 174294674
2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
CID 25227356
2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol
CID 68516909
1-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpyrrolidin-3-amine
CID 25144809
2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144234
3-(4-chloro-3-methoxyphenyl)-7-[4-fluoro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 59177973
N-[4-[2-(4-fluorophenyl)-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]benzamide
CID 170220642
3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride
CID 141252920
(1S,4S)-2-methyl-5-(2-methyl-4-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
CID 126578132
2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline
CID 69211650

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 68516255) is 2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine is Cc1cc(N2C[C@@H]3C[C@H]2CN3C)nn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is UXKKAJDICHRYBX-PMACEKPBSA-N. The full InChI is InChI=1S/C24H23FN6/c1-15-11-21(30-14-19-12-20(30)13-29(19)2)28-31-23(17-7-9-26-10-8-17)22(27-24(15)31)16-3-5-18(25)6-4-16/h3-11,19-20H,12-14H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 414.49 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 68516255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).