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

C18H17IN4O3 — CID 123581064

IUPAC6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(N3CCOCC3)nn3cc(I)ccc23)n1
InChIInChI=1S/C18H17IN4O3/c19-12-4-5-16-14(10-13-2-1-3-15(20-13)18(24)25)17(21-23(16)11-12)22-6-8-26-9-7-22/h1-5,11H,6-10H2,(H,24,25)
InChIKeyGDHDVRBDJHDCDP-UHFFFAOYSA-N
MW464.26 g/mol
LogP2.46
Rot. Bonds4

About 6-[(6-iodo-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 (PubChem CID 123581064) has the molecular formula C18H17IN4O3 and a molecular weight of 464.26 g/mol. Its IUPAC name is 6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID123581064
Molecular FormulaC18H17IN4O3
Molecular Weight464.26 g/mol
Exact Mass464.03
IUPAC Name6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(N3CCOCC3)nn3cc(I)ccc23)n1
InChIInChI=1S/C18H17IN4O3/c19-12-4-5-16-14(10-13-2-1-3-15(20-13)18(24)25)17(21-23(16)11-12)22-6-8-26-9-7-22/h1-5,11H,6-10H2,(H,24,25)
InChIKeyGDHDVRBDJHDCDP-UHFFFAOYSA-N
XLogP2.46
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
6-[[2-Phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151152
6-[(6-Methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151153
6-[(6-Chloro-2-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151421
6-[[2-Phenyl-6-(propen-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704838
6-[(6-Cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704841
6-[(6-Fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704854
6-[(6-Cyclopropyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704858
6-[[6-Chloro-2-(morpholin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704880
6-[(6-Chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 123950503
Ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2998819
6-[(2-Phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704827

Frequently Asked Questions

What is the IUPAC name of 6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (CID 123581064) is 6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cc2c(N3CCOCC3)nn3cc(I)ccc23)n1.
What is the InChIKey of 6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is GDHDVRBDJHDCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN4O3/c19-12-4-5-16-14(10-13-2-1-3-15(20-13)18(24)25)17(21-23(16)11-12)22-6-8-26-9-7-22/h1-5,11H,6-10H2,(H,24,25).
What are the key properties of 6-[(6-iodo-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 has a molecular weight of 464.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 123581064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).