tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate

C24H29N7O3 — CID 168902295

IUPACtert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate
SMILESCc1c(O)c(-c2ccc3nn(C4CCN(C(=O)OC(C)(C)C)CC4)nc3n2)cc2cn(C)nc12
InChIInChI=1S/C24H29N7O3/c1-14-20-15(13-29(5)27-20)12-17(21(14)32)18-6-7-19-22(25-18)28-31(26-19)16-8-10-30(11-9-16)23(33)34-24(2,3)4/h6-7,12-13,16,32H,8-11H2,1-5H3
InChIKeyJJIDEJHFROXVSN-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.97
Rot. Bonds2

About tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 168902295) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID168902295
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Nametert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate
SMILESCc1c(O)c(-c2ccc3nn(C4CCN(C(=O)OC(C)(C)C)CC4)nc3n2)cc2cn(C)nc12
InChIInChI=1S/C24H29N7O3/c1-14-20-15(13-29(5)27-20)12-17(21(14)32)18-6-7-19-22(25-18)28-31(26-19)16-8-10-30(11-9-16)23(33)34-24(2,3)4/h6-7,12-13,16,32H,8-11H2,1-5H3
InChIKeyJJIDEJHFROXVSN-UHFFFAOYSA-N
XLogP3.97
TPSA111.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-[6-(methoxymethoxy)-2-methylindazol-5-yl]pyrazolo[4,3-b]pyridin-2-yl]piperidine-1-carboxylate
CID 168902520
tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178050808
tert-butyl (2S,6R)-4-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[2,3-b]pyrazin-2-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168978776
5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
CID 168978828
tert-butyl 4-[7-(2,7-dimethylindazol-5-yl)-5,8-difluoro-4-oxoquinazolin-3-yl]piperidine-1-carboxylate
CID 168756161
2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol
CID 168979060
tert-butyl (3R)-3-[[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-methylamino]pyrrolidine-1-carboxylate
CID 168978617
tert-butyl 4-[[3-(7-fluoro-2-methylindazol-5-yl)-4-oxoquinazolin-6-yl]-methylamino]piperidine-1-carboxylate
CID 156888186
tert-butyl 4-[2-(7-ethyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178051074
tert-butyl 4-[7-fluoro-5-(2-methyl-1,3-benzothiazol-6-yl)indazol-2-yl]piperidine-1-carboxylate
CID 168902454
tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate
CID 153383543
tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate
CID 176901245

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate (CID 168902295) is tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate is Cc1c(O)c(-c2ccc3nn(C4CCN(C(=O)OC(C)(C)C)CC4)nc3n2)cc2cn(C)nc12.
What is the InChIKey of tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is JJIDEJHFROXVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-14-20-15(13-29(5)27-20)12-17(21(14)32)18-6-7-19-22(25-18)28-31(26-19)16-8-10-30(11-9-16)23(33)34-24(2,3)4/h6-7,12-13,16,32H,8-11H2,1-5H3.
What are the key properties of tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 463.54 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 168902295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).