N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide

C25H25F2N3O4 — CID 134226979

IUPACN-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)nn1
InChIInChI=1S/C25H25F2N3O4/c1-15(28-16(2)31)24-8-9-25(30-29-24)33-14-21-22(26)11-20(12-23(21)27)34-19-5-3-4-18(10-19)32-13-17-6-7-17/h3-5,8-12,15,17H,6-7,13-14H2,1-2H3,(H,28,31)
InChIKeyCGMWWXRZWRQCJI-UHFFFAOYSA-N
MW469.49 g/mol
LogP5.11
Rot. Bonds10

About N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide

N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide (PubChem CID 134226979) has the molecular formula C25H25F2N3O4 and a molecular weight of 469.49 g/mol. Its IUPAC name is N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide
PubChem CID134226979
Molecular FormulaC25H25F2N3O4
Molecular Weight469.49 g/mol
Exact Mass469.18
IUPAC NameN-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)nn1
InChIInChI=1S/C25H25F2N3O4/c1-15(28-16(2)31)24-8-9-25(30-29-24)33-14-21-22(26)11-20(12-23(21)27)34-19-5-3-4-18(10-19)32-13-17-6-7-17/h3-5,8-12,15,17H,6-7,13-14H2,1-2H3,(H,28,31)
InChIKeyCGMWWXRZWRQCJI-UHFFFAOYSA-N
XLogP5.11
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide?
The IUPAC name of N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide (CID 134226979) is N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide is CC(=O)NC(C)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)nn1.
What is the InChIKey of N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide?
The InChIKey is CGMWWXRZWRQCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O4/c1-15(28-16(2)31)24-8-9-25(30-29-24)33-14-21-22(26)11-20(12-23(21)27)34-19-5-3-4-18(10-19)32-13-17-6-7-17/h3-5,8-12,15,17H,6-7,13-14H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide?
N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide has a molecular weight of 469.49 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazin-3-yl]ethyl]acetamide is sourced from PubChem (CID 134226979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).