tert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate

C30H39N5O5 — CID 67958463

IUPACtert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate
SMILESCC(C)OC(=O)C(C)c1ccc2c(c1)c(-c1cncc(O[C@H]3CN(C(=O)OC(C)(C)C)CCC34CC4)n1)nn2C
InChIInChI=1S/C30H39N5O5/c1-18(2)38-27(36)19(3)20-8-9-23-21(14-20)26(33-34(23)7)22-15-31-16-25(32-22)39-24-17-35(13-12-30(24)10-11-30)28(37)40-29(4,5)6/h8-9,14-16,18-19,24H,10-13,17H2,1-7H3/t19?,24-/m0/s1
InChIKeyXHEKBIMTNLPHCX-WIIYFNMSSA-N
MW549.67 g/mol
LogP5.25
Rot. Bonds6

About tert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 67958463) has the molecular formula C30H39N5O5 and a molecular weight of 549.67 g/mol. Its IUPAC name is tert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID67958463
Molecular FormulaC30H39N5O5
Molecular Weight549.67 g/mol
Exact Mass549.30
IUPAC Nametert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate
SMILESCC(C)OC(=O)C(C)c1ccc2c(c1)c(-c1cncc(O[C@H]3CN(C(=O)OC(C)(C)C)CCC34CC4)n1)nn2C
InChIInChI=1S/C30H39N5O5/c1-18(2)38-27(36)19(3)20-8-9-23-21(14-20)26(33-34(23)7)22-15-31-16-25(32-22)39-24-17-35(13-12-30(24)10-11-30)28(37)40-29(4,5)6/h8-9,14-16,18-19,24H,10-13,17H2,1-7H3/t19?,24-/m0/s1
InChIKeyXHEKBIMTNLPHCX-WIIYFNMSSA-N
XLogP5.25
TPSA108.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of tert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate (CID 67958463) is tert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for tert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for tert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate is CC(C)OC(=O)C(C)c1ccc2c(c1)c(-c1cncc(O[C@H]3CN(C(=O)OC(C)(C)C)CCC34CC4)n1)nn2C.
What is the InChIKey of tert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is XHEKBIMTNLPHCX-WIIYFNMSSA-N. The full InChI is InChI=1S/C30H39N5O5/c1-18(2)38-27(36)19(3)20-8-9-23-21(14-20)26(33-34(23)7)22-15-31-16-25(32-22)39-24-17-35(13-12-30(24)10-11-30)28(37)40-29(4,5)6/h8-9,14-16,18-19,24H,10-13,17H2,1-7H3/t19?,24-/m0/s1.
What are the key properties of tert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?
tert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 549.67 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (8R)-8-[6-[1-methyl-5-(1-oxo-1-propan-2-yloxypropan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 67958463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).