tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate

C23H33N3O4 — CID 126486014

IUPACtert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate
SMILESCc1cc2cnn(C3CCCCO3)c2cc1C1(O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C23H33N3O4/c1-16-12-17-14-24-26(20-8-5-6-11-29-20)19(17)13-18(16)23(28)9-7-10-25(15-23)21(27)30-22(2,3)4/h12-14,20,28H,5-11,15H2,1-4H3
InChIKeyGWQIBFNYXNYGON-UHFFFAOYSA-N
MW415.53 g/mol
LogP4.26
Rot. Bonds2

About tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate

tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate (PubChem CID 126486014) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate
PubChem CID126486014
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Nametert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate
SMILESCc1cc2cnn(C3CCCCO3)c2cc1C1(O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C23H33N3O4/c1-16-12-17-14-24-26(20-8-5-6-11-29-20)19(17)13-18(16)23(28)9-7-10-25(15-23)21(27)30-22(2,3)4/h12-14,20,28H,5-11,15H2,1-4H3
InChIKeyGWQIBFNYXNYGON-UHFFFAOYSA-N
XLogP4.26
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[5-amino-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate
CID 126486097
4-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxan-3-ol;4-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxan-4-ol
CID 159112985
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218
tert-butyl 3-[[6-bromo-1-(oxan-2-yl)indazol-5-yl]oxymethyl]azetidine-1-carboxylate
CID 162517315
tert-butyl (3S,4R)-4-[5-methyl-1-(oxan-2-yl)indazol-6-yl]-3-(4-nitrobenzoyl)oxypiperidine-1-carboxylate
CID 153284279
tert-butyl 6-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-6-hydroxy-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 154696835
2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid
CID 126485697
tert-butyl (3S)-3-[[6-bromo-1-(oxan-2-yl)indazol-4-yl]methyl]pyrrolidine-1-carboxylate
CID 154980153
(3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid
CID 175149374
tert-butyl 7-[7-methyl-4-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 170548477
tert-butyl 6-[4-[5-chloro-6-methyl-1-(oxan-2-yl)indazol-4-yl]-5-methyl-3-[8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 166542949
tert-butyl (3R)-3-[3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propoxycarbonylamino]-3-methylazepane-1-carboxylate
CID 171613391

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate (CID 126486014) is tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate is Cc1cc2cnn(C3CCCCO3)c2cc1C1(O)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate?
The InChIKey is GWQIBFNYXNYGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-16-12-17-14-24-26(20-8-5-6-11-29-20)19(17)13-18(16)23(28)9-7-10-25(15-23)21(27)30-22(2,3)4/h12-14,20,28H,5-11,15H2,1-4H3.
What are the key properties of tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate?
tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 126486014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).