1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid

C16H20N4O3 — CID 126769097

IUPAC1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)Cn1ncc2cc(C(=O)N3CCCC3C(=O)O)cnc21
InChIInChI=1S/C16H20N4O3/c1-10(2)9-20-14-11(8-18-20)6-12(7-17-14)15(21)19-5-3-4-13(19)16(22)23/h6-8,10,13H,3-5,9H2,1-2H3,(H,22,23)
InChIKeyJGTGIMHQBZFGRV-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.78
Rot. Bonds4

About 1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid

1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 126769097) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID126769097
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)Cn1ncc2cc(C(=O)N3CCCC3C(=O)O)cnc21
InChIInChI=1S/C16H20N4O3/c1-10(2)9-20-14-11(8-18-20)6-12(7-17-14)15(21)19-5-3-4-13(19)16(22)23/h6-8,10,13H,3-5,9H2,1-2H3,(H,22,23)
InChIKeyJGTGIMHQBZFGRV-UHFFFAOYSA-N
XLogP1.78
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone
CID 166191038
(2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137578
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355794
(2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 99701713
(2S)-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365779
1-(5-aminopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 110488370
1-(5-hydroxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45074740
(2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922034
(4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone
CID 86786556
(2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 66263120
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 125147875

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid (CID 126769097) is 1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid is CC(C)Cn1ncc2cc(C(=O)N3CCCC3C(=O)O)cnc21.
What is the InChIKey of 1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JGTGIMHQBZFGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10(2)9-20-14-11(8-18-20)6-12(7-17-14)15(21)19-5-3-4-13(19)16(22)23/h6-8,10,13H,3-5,9H2,1-2H3,(H,22,23).
What are the key properties of 1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid?
1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 126769097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).