tert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate

C23H28N4O3 — CID 171544244

IUPACtert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate
SMILESCOc1cccc(-c2nn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c3ncccc23)c1
InChIInChI=1S/C23H28N4O3/c1-23(2,3)30-22(28)26-13-7-9-17(15-26)27-21-19(11-6-12-24-21)20(25-27)16-8-5-10-18(14-16)29-4/h5-6,8,10-12,14,17H,7,9,13,15H2,1-4H3/t17-/m1/s1
InChIKeyADBCNEUKWZGOGX-QGZVFWFLSA-N
MW408.50 g/mol
LogP4.68
Rot. Bonds3

About tert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate

tert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate (PubChem CID 171544244) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is tert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate
PubChem CID171544244
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Nametert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate
SMILESCOc1cccc(-c2nn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c3ncccc23)c1
InChIInChI=1S/C23H28N4O3/c1-23(2,3)30-22(28)26-13-7-9-17(15-26)27-21-19(11-6-12-24-21)20(25-27)16-8-5-10-18(14-16)29-4/h5-6,8,10-12,14,17H,7,9,13,15H2,1-4H3/t17-/m1/s1
InChIKeyADBCNEUKWZGOGX-QGZVFWFLSA-N
XLogP4.68
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 171543961
3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine
CID 171543725
tert-butyl (3R)-3-[4-amino-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 71513574
tert-butyl (3R)-3-[4-amino-3-[4-(3-fluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 86714484
tert-butyl 3-(3-bromoindazol-1-yl)piperidine-1-carboxylate;ethane
CID 171544267
tert-butyl 3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 175297581
tert-butyl (3R)-3-[4-amino-3-[4-[[(2-fluoro-5-methoxybenzoyl)amino]methyl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 140784379
tert-butyl (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate
CID 166162680
tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate
CID 166162668
tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
CID 171716686
tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
CID 130248062
1-O-tert-butyl 3-O-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl] piperidine-1,3-dicarboxylate
CID 55444505

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate (CID 171544244) is tert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate is COc1cccc(-c2nn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c3ncccc23)c1.
What is the InChIKey of tert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate?
The InChIKey is ADBCNEUKWZGOGX-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-23(2,3)30-22(28)26-13-7-9-17(15-26)27-21-19(11-6-12-24-21)20(25-27)16-8-5-10-18(14-16)29-4/h5-6,8,10-12,14,17H,7,9,13,15H2,1-4H3/t17-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 171544244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).