methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate

C22H29N3O4 — CID 176886480

IUPACmethyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate
SMILESCOC(=O)c1ccc2nn(C3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc2c1
InChIInChI=1S/C22H29N3O4/c1-21(2,3)29-20(27)24-9-7-22(8-10-24)12-17(13-22)25-14-16-11-15(19(26)28-4)5-6-18(16)23-25/h5-6,11,14,17H,7-10,12-13H2,1-4H3
InChIKeyUWMYGPOAXYAXTN-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.18
Rot. Bonds2

About methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate

methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate (PubChem CID 176886480) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate
PubChem CID176886480
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Namemethyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate
SMILESCOC(=O)c1ccc2nn(C3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc2c1
InChIInChI=1S/C22H29N3O4/c1-21(2,3)29-20(27)24-9-7-22(8-10-24)12-17(13-22)25-14-16-11-15(19(26)28-4)5-6-18(16)23-25/h5-6,11,14,17H,7-10,12-13H2,1-4H3
InChIKeyUWMYGPOAXYAXTN-UHFFFAOYSA-N
XLogP4.18
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[4-amino-3-(2-hydroxypropan-2-yl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 176705364
methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate
CID 175973045
tert-butyl 2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 71240153
1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate
CID 170899546
methyl 2-cyclopropyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-5-carboxylate
CID 126617375
tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate
CID 139332288
tert-butyl 3-(5-bromoindazol-2-yl)piperidine-1-carboxylate
CID 175058391
tert-butyl 2-[[4-(4-amino-3-methoxycarbonylpyrazol-1-yl)phenyl]methyl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 176705712
tert-butyl 2-(4-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 163836171
tert-butyl 2-(5-formylindazol-1-yl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 176886255
methyl 2-cyclopentylindazole-6-carboxylate
CID 54059647
tert-butyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 121225972

Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate?
The IUPAC name of methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate (CID 176886480) is methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate.
What is the SMILES notation for methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate?
The canonical SMILES for methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate is COC(=O)c1ccc2nn(C3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc2c1.
What is the InChIKey of methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate?
The InChIKey is UWMYGPOAXYAXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-21(2,3)29-20(27)24-9-7-22(8-10-24)12-17(13-22)25-14-16-11-15(19(26)28-4)5-6-18(16)23-25/h5-6,11,14,17H,7-10,12-13H2,1-4H3.
What are the key properties of methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate?
methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate has a molecular weight of 399.49 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate is sourced from PubChem (CID 176886480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).