tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate

C17H24IN5O3 — CID 134531338

IUPACtert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate
SMILESCOc1cnc(N)c2c(I)nn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c12
InChIInChI=1S/C17H24IN5O3/c1-17(2,3)26-16(24)22-7-5-6-10(9-22)23-13-11(25-4)8-20-15(19)12(13)14(18)21-23/h8,10H,5-7,9H2,1-4H3,(H2,19,20)/t10-/m1/s1
InChIKeyCAEBYJKRAJSUIY-SNVBAGLBSA-N
MW473.32 g/mol
LogP3.20
Rot. Bonds2

About tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate

tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate (PubChem CID 134531338) has the molecular formula C17H24IN5O3 and a molecular weight of 473.32 g/mol. Its IUPAC name is tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate
PubChem CID134531338
Molecular FormulaC17H24IN5O3
Molecular Weight473.32 g/mol
Exact Mass473.09
IUPAC Nametert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate
SMILESCOc1cnc(N)c2c(I)nn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c12
InChIInChI=1S/C17H24IN5O3/c1-17(2,3)26-16(24)22-7-5-6-10(9-22)23-13-11(25-4)8-20-15(19)12(13)14(18)21-23/h8,10H,5-7,9H2,1-4H3,(H2,19,20)/t10-/m1/s1
InChIKeyCAEBYJKRAJSUIY-SNVBAGLBSA-N
XLogP3.20
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(4-amino-7-fluoro-3-iodopyrazolo[4,5-c]pyridin-1-yl)pyrrolidine-1-carboxylate
CID 175458908
tert-butyl 3-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)pyrrolidine-1-carboxylate
CID 175458913
tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 171543961
tert-butyl (3R)-3-[4-amino-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 71513574
tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
CID 146608405
tert-butyl 3-(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
CID 71222871
tert-butyl (3R)-3-[4-amino-7-chloro-3-[2-methoxy-4-(pyridin-2-ylcarbamoyl)phenyl]pyrazolo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 142749942
tert-butyl 3-[(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)methyl]piperidine-1-carboxylate
CID 118519835
tert-butyl (3S)-3-[4-amino-3-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]-7-ethylpyrazolo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylate
CID 169089238
tert-butyl (3R)-3-[4-amino-3-[(5-fluoro-1,3-benzoxazol-2-yl)carbamoyl]-7-methylpyrazolo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 146608325
tert-butyl 3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]-7-fluoropyrazolo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylate
CID 175458771
tert-butyl (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate
CID 166162680

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate (CID 134531338) is tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate is COc1cnc(N)c2c(I)nn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c12.
What is the InChIKey of tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate?
The InChIKey is CAEBYJKRAJSUIY-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H24IN5O3/c1-17(2,3)26-16(24)22-7-5-6-10(9-22)23-13-11(25-4)8-20-15(19)12(13)14(18)21-23/h8,10H,5-7,9H2,1-4H3,(H2,19,20)/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate?
tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate has a molecular weight of 473.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 134531338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).