7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C26H30F2N8O — CID 90289186

IUPAC7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CC(OCC(F)F)C5)c4)cc3n2)c1
InChIInChI=1S/C26H30F2N8O/c1-17(2)18-9-26(34-30-11-18)33-25-5-4-22-23(32-25)8-19(10-29-22)20-12-31-36(13-20)7-3-6-35-14-21(15-35)37-16-24(27)28/h4-5,8-13,17,21,24H,3,6-7,14-16H2,1-2H3,(H,32,33,34)
InChIKeyUGBXIHBUXHFXFW-UHFFFAOYSA-N
MW508.58 g/mol
LogP4.51
Rot. Bonds11

About 7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90289186) has the molecular formula C26H30F2N8O and a molecular weight of 508.58 g/mol. Its IUPAC name is 7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90289186
Molecular FormulaC26H30F2N8O
Molecular Weight508.58 g/mol
Exact Mass508.25
IUPAC Name7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CC(OCC(F)F)C5)c4)cc3n2)c1
InChIInChI=1S/C26H30F2N8O/c1-17(2)18-9-26(34-30-11-18)33-25-5-4-22-23(32-25)8-19(10-29-22)20-12-31-36(13-20)7-3-6-35-14-21(15-35)37-16-24(27)28/h4-5,8-13,17,21,24H,3,6-7,14-16H2,1-2H3,(H,32,33,34)
InChIKeyUGBXIHBUXHFXFW-UHFFFAOYSA-N
XLogP4.51
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.58
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90289186) is 7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CC(OCC(F)F)C5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is UGBXIHBUXHFXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N8O/c1-17(2)18-9-26(34-30-11-18)33-25-5-4-22-23(32-25)8-19(10-29-22)20-12-31-36(13-20)7-3-6-35-14-21(15-35)37-16-24(27)28/h4-5,8-13,17,21,24H,3,6-7,14-16H2,1-2H3,(H,32,33,34).
What are the key properties of 7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 508.58 g/mol, XLogP of 4.51, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[3-[3-(2,2-difluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).