6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid

C18H16N6O3 — CID 171406902

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid
SMILESN#Cc1cnc2c(cnn2-c2cc(NC[C@@H]3CCCO3)c(C(=O)O)cn2)c1
InChIInChI=1S/C18H16N6O3/c19-6-11-4-12-8-23-24(17(12)22-7-11)16-5-15(14(10-21-16)18(25)26)20-9-13-2-1-3-27-13/h4-5,7-8,10,13H,1-3,9H2,(H,20,21)(H,25,26)/t13-/m0/s1
InChIKeyFYLBBHZPXSIOHL-ZDUSSCGKSA-N
MW364.37 g/mol
LogP1.98
Rot. Bonds5

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid (PubChem CID 171406902) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid
PubChem CID171406902
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid
SMILESN#Cc1cnc2c(cnn2-c2cc(NC[C@@H]3CCCO3)c(C(=O)O)cn2)c1
InChIInChI=1S/C18H16N6O3/c19-6-11-4-12-8-23-24(17(12)22-7-11)16-5-15(14(10-21-16)18(25)26)20-9-13-2-1-3-27-13/h4-5,7-8,10,13H,1-3,9H2,(H,20,21)(H,25,26)/t13-/m0/s1
InChIKeyFYLBBHZPXSIOHL-ZDUSSCGKSA-N
XLogP1.98
TPSA125.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(methylamino)pyridine-3-carboxamide
CID 171407015
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide
CID 163400340
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206589
5-(oxolan-2-ylmethylamino)-1-phenylpyrazole-4-carboxylic acid
CID 141299942
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-3-carboxamide
CID 118206936
6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid
CID 99869074
5-fluoro-2-(oxolan-2-ylmethylamino)benzoic acid
CID 63673824
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(3,3-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118207022
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide
CID 118206833
1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 170737644
6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine
CID 123312240
1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135200851

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid (CID 171406902) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid is N#Cc1cnc2c(cnn2-c2cc(NC[C@@H]3CCCO3)c(C(=O)O)cn2)c1.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid?
The InChIKey is FYLBBHZPXSIOHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16N6O3/c19-6-11-4-12-8-23-24(17(12)22-7-11)16-5-15(14(10-21-16)18(25)26)20-9-13-2-1-3-27-13/h4-5,7-8,10,13H,1-3,9H2,(H,20,21)(H,25,26)/t13-/m0/s1.
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid has a molecular weight of 364.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 171406902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).