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

C26H30F2N8O2 — CID 90289223

IUPAC7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCOC(CN1CC(OC(F)F)C1)Cn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1
InChIInChI=1S/C26H30F2N8O2/c1-16(2)17-7-25(34-30-9-17)33-24-5-4-22-23(32-24)6-18(8-29-22)19-10-31-36(11-19)15-20(37-3)12-35-13-21(14-35)38-26(27)28/h4-11,16,20-21,26H,12-15H2,1-3H3,(H,32,33,34)
InChIKeyROHPCTGDXTXEIK-UHFFFAOYSA-N
MW524.58 g/mol
LogP4.09
Rot. Bonds11

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

7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90289223) has the molecular formula C26H30F2N8O2 and a molecular weight of 524.58 g/mol. Its IUPAC name is 7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90289223
Molecular FormulaC26H30F2N8O2
Molecular Weight524.58 g/mol
Exact Mass524.25
IUPAC Name7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCOC(CN1CC(OC(F)F)C1)Cn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1
InChIInChI=1S/C26H30F2N8O2/c1-16(2)17-7-25(34-30-9-17)33-24-5-4-22-23(32-24)6-18(8-29-22)19-10-31-36(11-19)15-20(37-3)12-35-13-21(14-35)38-26(27)28/h4-11,16,20-21,26H,12-15H2,1-3H3,(H,32,33,34)
InChIKeyROHPCTGDXTXEIK-UHFFFAOYSA-N
XLogP4.09
TPSA103.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.58
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]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-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90289223) is 7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]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-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is COC(CN1CC(OC(F)F)C1)Cn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1.
What is the InChIKey of 7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is ROHPCTGDXTXEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N8O2/c1-16(2)17-7-25(34-30-9-17)33-24-5-4-22-23(32-24)6-18(8-29-22)19-10-31-36(11-19)15-20(37-3)12-35-13-21(14-35)38-26(27)28/h4-11,16,20-21,26H,12-15H2,1-3H3,(H,32,33,34).
What are the key properties of 7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 524.58 g/mol, XLogP of 4.09, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).