5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile

C22H15IN6 — CID 89376651

IUPAC5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2CI)c(C#N)c2ccnn2c1NCc1cccnc1
InChIInChI=1S/C22H15IN6/c23-10-16-5-1-2-6-17(16)21-18(11-24)20-7-9-28-29(20)22(19(21)12-25)27-14-15-4-3-8-26-13-15/h1-9,13,27H,10,14H2
InChIKeyWHTTXICTYRZIGA-UHFFFAOYSA-N
MW490.31 g/mol
LogP4.69
Rot. Bonds5

About 5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile

5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile (PubChem CID 89376651) has the molecular formula C22H15IN6 and a molecular weight of 490.31 g/mol. Its IUPAC name is 5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile.

Molecular Properties

Compound Name5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile
PubChem CID89376651
Molecular FormulaC22H15IN6
Molecular Weight490.31 g/mol
Exact Mass490.04
IUPAC Name5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2CI)c(C#N)c2ccnn2c1NCc1cccnc1
InChIInChI=1S/C22H15IN6/c23-10-16-5-1-2-6-17(16)21-18(11-24)20-7-9-28-29(20)22(19(21)12-25)27-14-15-4-3-8-26-13-15/h1-9,13,27H,10,14H2
InChIKeyWHTTXICTYRZIGA-UHFFFAOYSA-N
XLogP4.69
TPSA89.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile?
The IUPAC name of 5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile (CID 89376651) is 5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile.
What is the SMILES notation for 5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile?
The canonical SMILES for 5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile is N#Cc1c(-c2ccccc2CI)c(C#N)c2ccnn2c1NCc1cccnc1.
What is the InChIKey of 5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile?
The InChIKey is WHTTXICTYRZIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15IN6/c23-10-16-5-1-2-6-17(16)21-18(11-24)20-7-9-28-29(20)22(19(21)12-25)27-14-15-4-3-8-26-13-15/h1-9,13,27H,10,14H2.
What are the key properties of 5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile?
5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile has a molecular weight of 490.31 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile is sourced from PubChem (CID 89376651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).