(2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid

C18H18N4O3S — CID 119364932

IUPAC(2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCC[C@H]3C(=O)O)c12
InChIInChI=1S/C18H18N4O3S/c1-10-15-11(17(23)22-7-3-5-13(22)18(24)25)9-12(14-6-4-8-26-14)19-16(15)21(2)20-10/h4,6,8-9,13H,3,5,7H2,1-2H3,(H,24,25)/t13-/m0/s1
InChIKeyBMAJNHWASNDGAP-ZDUSSCGKSA-N
MW370.43 g/mol
LogP2.69
Rot. Bonds3

About (2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119364932) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is (2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119364932
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name(2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCC[C@H]3C(=O)O)c12
InChIInChI=1S/C18H18N4O3S/c1-10-15-11(17(23)22-7-3-5-13(22)18(24)25)9-12(14-6-4-8-26-14)19-16(15)21(2)20-10/h4,6,8-9,13H,3,5,7H2,1-2H3,(H,24,25)/t13-/m0/s1
InChIKeyBMAJNHWASNDGAP-ZDUSSCGKSA-N
XLogP2.69
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2R,3R)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116223
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
CID 44822989
[2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119468131
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 42961988
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 55675685
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111758269
(2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371797
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 120815578
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112809499
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120658168
[4-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 34471542
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 34217550

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 119364932) is (2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCC[C@H]3C(=O)O)c12.
What is the InChIKey of (2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BMAJNHWASNDGAP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-10-15-11(17(23)22-7-3-5-13(22)18(24)25)9-12(14-6-4-8-26-14)19-16(15)21(2)20-10/h4,6,8-9,13H,3,5,7H2,1-2H3,(H,24,25)/t13-/m0/s1.
What are the key properties of (2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119364932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).