6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid)

C93H94BrIN20O15 — CID 162065842

IUPAC6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid)
SMILESCc1ccc2c(Cc3cccc(C(=O)O)n3)c(N3CCOCC3)nn2c1.Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(N3CCOCC3)nn2c1.Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(N3CCOCC3)nn2c1.O=C(O)c1cccc(Cc2c(N3CCOCC3)nn3cc(Br)ccc23)n1.O=C(O)c1cccc(Cc2c(N3CCOCC3)nn3cc(I)ccc23)n1
InChIInChI=1S/3C19H20N4O3.C18H17BrN4O3.C18H17IN4O3/c3*1-13-5-6-17-15(11-14-3-2-4-16(20-14)19(24)25)18(21-23(17)12-13)22-7-9-26-10-8-22;2*19-12-4-5-16-14(10-13-2-1-3-15(20-13)18(24)25)17(21-23(16)11-12)22-6-8-26-9-7-22/h3*2-6,12H,7-11H2,1H3,(H,24,25);2*1-5,11H,6-10H2,(H,24,25)
InChIKeyZALGHPRILLZFNC-UHFFFAOYSA-N
MW1938.71 g/mol
LogP11.57
Rot. Bonds20

About 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid)

6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid) (PubChem CID 162065842) has the molecular formula C93H94BrIN20O15 and a molecular weight of 1938.71 g/mol. Its IUPAC name is 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid).

Molecular Properties

Compound Name6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid)
PubChem CID162065842
Molecular FormulaC93H94BrIN20O15
Molecular Weight1938.71 g/mol
Exact Mass1936.54
IUPAC Name6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid)
SMILESCc1ccc2c(Cc3cccc(C(=O)O)n3)c(N3CCOCC3)nn2c1.Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(N3CCOCC3)nn2c1.Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(N3CCOCC3)nn2c1.O=C(O)c1cccc(Cc2c(N3CCOCC3)nn3cc(Br)ccc23)n1.O=C(O)c1cccc(Cc2c(N3CCOCC3)nn3cc(I)ccc23)n1
InChIInChI=1S/3C19H20N4O3.C18H17BrN4O3.C18H17IN4O3/c3*1-13-5-6-17-15(11-14-3-2-4-16(20-14)19(24)25)18(21-23(17)12-13)22-7-9-26-10-8-22;2*19-12-4-5-16-14(10-13-2-1-3-15(20-13)18(24)25)17(21-23(16)11-12)22-6-8-26-9-7-22/h3*2-6,12H,7-11H2,1H3,(H,24,25);2*1-5,11H,6-10H2,(H,24,25)
InChIKeyZALGHPRILLZFNC-UHFFFAOYSA-N
XLogP11.57
TPSA399.80 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001938.71
LogP ≤ 511.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid) with MolForge

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Related Compounds

6-[(6-Bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 123369412
6-[(6-Iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 123581064
Methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 123784237
3-(1,3-Diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate
CID 158146458
potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate
CID 159358508
Methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;tris(methyl 6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate)
CID 160229898
6-[(2-Tert-butyl-6-chloropyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[(6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 160299352
1-(2-Bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine
CID 161475921

Frequently Asked Questions

What is the IUPAC name of 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid)?
The IUPAC name of 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid) (CID 162065842) is 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid).
What is the SMILES notation for 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid)?
The canonical SMILES for 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid) is Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(N3CCOCC3)nn2c1.Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(N3CCOCC3)nn2c1.Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(N3CCOCC3)nn2c1.O=C(O)c1cccc(Cc2c(N3CCOCC3)nn3cc(Br)ccc23)n1.O=C(O)c1cccc(Cc2c(N3CCOCC3)nn3cc(I)ccc23)n1.
What is the InChIKey of 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid)?
The InChIKey is ZALGHPRILLZFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H20N4O3.C18H17BrN4O3.C18H17IN4O3/c3*1-13-5-6-17-15(11-14-3-2-4-16(20-14)19(24)25)18(21-23(17)12-13)22-7-9-26-10-8-22;2*19-12-4-5-16-14(10-13-2-1-3-15(20-13)18(24)25)17(21-23(16)11-12)22-6-8-26-9-7-22/h3*2-6,12H,7-11H2,1H3,(H,24,25);2*1-5,11H,6-10H2,(H,24,25).
What are the key properties of 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid)?
6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid) has a molecular weight of 1938.71 g/mol, XLogP of 11.57, 20 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid) is sourced from PubChem (CID 162065842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).