5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol

C26H26FN5O2 — CID 168895432

IUPAC5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol
SMILESCc1cn2cc(-c3ccc(-c4ccc(C5CN(CC6(C)COC6)C5)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C26H26FN5O2/c1-16-9-32-12-18(7-21(27)25(32)28-16)17-3-4-20(24(33)8-17)23-6-5-22(29-30-23)19-10-31(11-19)13-26(2)14-34-15-26/h3-9,12,19,33H,10-11,13-15H2,1-2H3
InChIKeyZMLVXQHYPWYCGU-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.05
Rot. Bonds5

About 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol

5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol (PubChem CID 168895432) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol
PubChem CID168895432
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC Name5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol
SMILESCc1cn2cc(-c3ccc(-c4ccc(C5CN(CC6(C)COC6)C5)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C26H26FN5O2/c1-16-9-32-12-18(7-21(27)25(32)28-16)17-3-4-20(24(33)8-17)23-6-5-22(29-30-23)19-10-31(11-19)13-26(2)14-34-15-26/h3-9,12,19,33H,10-11,13-15H2,1-2H3
InChIKeyZMLVXQHYPWYCGU-UHFFFAOYSA-N
XLogP4.05
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol
CID 168895656
2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
CID 156887572
2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
CID 156887420
2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride
CID 156887571
5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol
CID 168895445
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride
CID 168895636
5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol
CID 168895423
5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol
CID 168895654
8-fluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine
CID 167969550
8-fluoro-6-(2-fluorophenyl)-2-methylimidazo[1,2-a]pyridine
CID 175581165
2-[6-[1-(2,2-dimethylpropyl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol
CID 168895492
5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 151923812

Frequently Asked Questions

What is the IUPAC name of 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol?
The IUPAC name of 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol (CID 168895432) is 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol is Cc1cn2cc(-c3ccc(-c4ccc(C5CN(CC6(C)COC6)C5)nn4)c(O)c3)cc(F)c2n1.
What is the InChIKey of 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol?
The InChIKey is ZMLVXQHYPWYCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-16-9-32-12-18(7-21(27)25(32)28-16)17-3-4-20(24(33)8-17)23-6-5-22(29-30-23)19-10-31(11-19)13-26(2)14-34-15-26/h3-9,12,19,33H,10-11,13-15H2,1-2H3.
What are the key properties of 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol?
5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol has a molecular weight of 459.53 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 168895432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).