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

C28H30FN5O2 — CID 168895656

IUPAC5-(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
SMILESCc1cn2cc(-c3ccc(-c4ccc(C5CN(C(C)C6CCCCO6)C5)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C28H30FN5O2/c1-17-13-34-14-20(11-23(29)28(34)30-17)19-6-7-22(26(35)12-19)25-9-8-24(31-32-25)21-15-33(16-21)18(2)27-5-3-4-10-36-27/h6-9,11-14,18,21,27,35H,3-5,10,15-16H2,1-2H3
InChIKeyJASKIMADXUMAQX-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.97
Rot. Bonds5

About 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

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 (PubChem CID 168895656) has the molecular formula C28H30FN5O2 and a molecular weight of 487.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID168895656
Molecular FormulaC28H30FN5O2
Molecular Weight487.58 g/mol
Exact Mass487.24
IUPAC Name5-(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
SMILESCc1cn2cc(-c3ccc(-c4ccc(C5CN(C(C)C6CCCCO6)C5)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C28H30FN5O2/c1-17-13-34-14-20(11-23(29)28(34)30-17)19-6-7-22(26(35)12-19)25-9-8-24(31-32-25)21-15-33(16-21)18(2)27-5-3-4-10-36-27/h6-9,11-14,18,21,27,35H,3-5,10,15-16H2,1-2H3
InChIKeyJASKIMADXUMAQX-UHFFFAOYSA-N
XLogP4.97
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn2cc(-c3ccc(-c4ccc(C5CN(C(C)C6CCCCO6)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-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol?
The InChIKey is JASKIMADXUMAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O2/c1-17-13-34-14-20(11-23(29)28(34)30-17)19-6-7-22(26(35)12-19)25-9-8-24(31-32-25)21-15-33(16-21)18(2)27-5-3-4-10-36-27/h6-9,11-14,18,21,27,35H,3-5,10,15-16H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 487.58 g/mol, XLogP of 4.97, 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-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 168895656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).