[1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol

C23H25F2N5O3S — CID 167513301

IUPAC[1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccc(Oc3c(-c4csc(N5CCOCC5)n4)ccc(F)c3F)nn2)CC1
InChIInChI=1S/C23H25F2N5O3S/c24-17-2-1-16(18-14-34-23(26-18)30-9-11-32-12-10-30)22(21(17)25)33-20-4-3-19(27-28-20)29-7-5-15(13-31)6-8-29/h1-4,14-15,31H,5-13H2
InChIKeyRJGKVFIVFVXNMT-UHFFFAOYSA-N
MW489.55 g/mol
LogP3.72
Rot. Bonds6

About [1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol

[1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol (PubChem CID 167513301) has the molecular formula C23H25F2N5O3S and a molecular weight of 489.55 g/mol. Its IUPAC name is [1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol
PubChem CID167513301
Molecular FormulaC23H25F2N5O3S
Molecular Weight489.55 g/mol
Exact Mass489.16
IUPAC Name[1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccc(Oc3c(-c4csc(N5CCOCC5)n4)ccc(F)c3F)nn2)CC1
InChIInChI=1S/C23H25F2N5O3S/c24-17-2-1-16(18-14-34-23(26-18)30-9-11-32-12-10-30)22(21(17)25)33-20-4-3-19(27-28-20)29-7-5-15(13-31)6-8-29/h1-4,14-15,31H,5-13H2
InChIKeyRJGKVFIVFVXNMT-UHFFFAOYSA-N
XLogP3.72
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol (CID 167513301) is [1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol is OCC1CCN(c2ccc(Oc3c(-c4csc(N5CCOCC5)n4)ccc(F)c3F)nn2)CC1.
What is the InChIKey of [1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol?
The InChIKey is RJGKVFIVFVXNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O3S/c24-17-2-1-16(18-14-34-23(26-18)30-9-11-32-12-10-30)22(21(17)25)33-20-4-3-19(27-28-20)29-7-5-15(13-31)6-8-29/h1-4,14-15,31H,5-13H2.
What are the key properties of [1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol?
[1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol has a molecular weight of 489.55 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 167513301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).