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

C14H16N4O3 — CID 61137578

IUPAC(2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)N3CCC[C@H]3C(=O)O)cc12
InChIInChI=1S/C14H16N4O3/c1-8-10-6-9(7-15-12(10)17(2)16-8)13(19)18-5-3-4-11(18)14(20)21/h6-7,11H,3-5H2,1-2H3,(H,20,21)/t11-/m0/s1
InChIKeyFBHLKDRCYRBEBA-NSHDSACASA-N
MW288.31 g/mol
LogP0.97
Rot. Bonds2

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

(2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61137578) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is (2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61137578
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name(2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)N3CCC[C@H]3C(=O)O)cc12
InChIInChI=1S/C14H16N4O3/c1-8-10-6-9(7-15-12(10)17(2)16-8)13(19)18-5-3-4-11(18)14(20)21/h6-7,11H,3-5H2,1-2H3,(H,20,21)/t11-/m0/s1
InChIKeyFBHLKDRCYRBEBA-NSHDSACASA-N
XLogP0.97
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355794
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 94643423
methyl 2-[1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperidin-2-yl]acetate
CID 78901742
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 42937320
(2S)-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365779
1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117881
[3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119594000
1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 119415537
(2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 99701713
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543986
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 61137578) is (2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid is Cc1nn(C)c2ncc(C(=O)N3CCC[C@H]3C(=O)O)cc12.
What is the InChIKey of (2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FBHLKDRCYRBEBA-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O3/c1-8-10-6-9(7-15-12(10)17(2)16-8)13(19)18-5-3-4-11(18)14(20)21/h6-7,11H,3-5H2,1-2H3,(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61137578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).