(3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate

C10H10IN3O2 — CID 174562390

IUPAC(3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate
SMILESCCCC(=O)On1nc(I)c2cccnc21
InChIInChI=1S/C10H10IN3O2/c1-2-4-8(15)16-14-10-7(9(11)13-14)5-3-6-12-10/h3,5-6H,2,4H2,1H3
InChIKeyAWFQMPFIQWTRNS-UHFFFAOYSA-N
MW331.11 g/mol
LogP1.79
Rot. Bonds3

About (3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate

(3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate (PubChem CID 174562390) has the molecular formula C10H10IN3O2 and a molecular weight of 331.11 g/mol. Its IUPAC name is (3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate.

Molecular Properties

Compound Name(3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate
PubChem CID174562390
Molecular FormulaC10H10IN3O2
Molecular Weight331.11 g/mol
Exact Mass330.98
IUPAC Name(3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate
SMILESCCCC(=O)On1nc(I)c2cccnc21
InChIInChI=1S/C10H10IN3O2/c1-2-4-8(15)16-14-10-7(9(11)13-14)5-3-6-12-10/h3,5-6H,2,4H2,1H3
InChIKeyAWFQMPFIQWTRNS-UHFFFAOYSA-N
XLogP1.79
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.11
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethylpyrazolo[3,4-b]pyridin-1-yl)acetic acid
CID 143383912
1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
CID 118500444
ethyl butanoate;quinoline
CID 174829531
ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate
CID 102144493
ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54710474
4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
CID 23636390
tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 171543961
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
(4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate
CID 90940848
butyl 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]acetate
CID 66415107
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanoate
CID 10084390
methyl 2-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 58719772

Frequently Asked Questions

What is the IUPAC name of (3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate?
The IUPAC name of (3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate (CID 174562390) is (3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate.
What is the SMILES notation for (3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate?
The canonical SMILES for (3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate is CCCC(=O)On1nc(I)c2cccnc21.
What is the InChIKey of (3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate?
The InChIKey is AWFQMPFIQWTRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O2/c1-2-4-8(15)16-14-10-7(9(11)13-14)5-3-6-12-10/h3,5-6H,2,4H2,1H3.
What are the key properties of (3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate?
(3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate has a molecular weight of 331.11 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodopyrazolo[5,4-b]pyridin-1-yl) butanoate is sourced from PubChem (CID 174562390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).