tert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate

C23H32FN3O4 — CID 137459567

IUPACtert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(C)(C)Oc2cc(F)cc3c2cnn3C2CCCCO2)C1
InChIInChI=1S/C23H32FN3O4/c1-22(2,3)31-21(28)26-13-15(14-26)23(4,5)30-19-11-16(24)10-18-17(19)12-25-27(18)20-8-6-7-9-29-20/h10-12,15,20H,6-9,13-14H2,1-5H3
InChIKeyPFVVAAJSKRVWJS-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.90
Rot. Bonds4

About tert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate

tert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate (PubChem CID 137459567) has the molecular formula C23H32FN3O4 and a molecular weight of 433.52 g/mol. Its IUPAC name is tert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate
PubChem CID137459567
Molecular FormulaC23H32FN3O4
Molecular Weight433.52 g/mol
Exact Mass433.24
IUPAC Nametert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(C)(C)Oc2cc(F)cc3c2cnn3C2CCCCO2)C1
InChIInChI=1S/C23H32FN3O4/c1-22(2,3)31-21(28)26-13-15(14-26)23(4,5)30-19-11-16(24)10-18-17(19)12-25-27(18)20-8-6-7-9-29-20/h10-12,15,20H,6-9,13-14H2,1-5H3
InChIKeyPFVVAAJSKRVWJS-UHFFFAOYSA-N
XLogP4.90
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate (CID 137459567) is tert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(C)(C)Oc2cc(F)cc3c2cnn3C2CCCCO2)C1.
What is the InChIKey of tert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate?
The InChIKey is PFVVAAJSKRVWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O4/c1-22(2,3)31-21(28)26-13-15(14-26)23(4,5)30-19-11-16(24)10-18-17(19)12-25-27(18)20-8-6-7-9-29-20/h10-12,15,20H,6-9,13-14H2,1-5H3.
What are the key properties of tert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate?
tert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate has a molecular weight of 433.52 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[6-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate is sourced from PubChem (CID 137459567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).