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

C21H13ClN6 — CID 16660388

IUPAC5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)c(C#N)c2ccnn2c1NCc1cccnc1
InChIInChI=1S/C21H13ClN6/c22-18-6-2-1-5-15(18)20-16(10-23)19-7-9-27-28(19)21(17(20)11-24)26-13-14-4-3-8-25-12-14/h1-9,12,26H,13H2
InChIKeyHBLCLMJWUVJGKM-UHFFFAOYSA-N
MW384.83 g/mol
LogP4.41
Rot. Bonds4

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

5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile (PubChem CID 16660388) has the molecular formula C21H13ClN6 and a molecular weight of 384.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile.

Molecular Properties

Compound Name5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile
PubChem CID16660388
Molecular FormulaC21H13ClN6
Molecular Weight384.83 g/mol
Exact Mass384.09
IUPAC Name5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)c(C#N)c2ccnn2c1NCc1cccnc1
InChIInChI=1S/C21H13ClN6/c22-18-6-2-1-5-15(18)20-16(10-23)19-7-9-27-28(19)21(17(20)11-24)26-13-14-4-3-8-25-12-14/h1-9,12,26H,13H2
InChIKeyHBLCLMJWUVJGKM-UHFFFAOYSA-N
XLogP4.41
TPSA89.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile?
The IUPAC name of 5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile (CID 16660388) is 5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile.
What is the SMILES notation for 5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile?
The canonical SMILES for 5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile is N#Cc1c(-c2ccccc2Cl)c(C#N)c2ccnn2c1NCc1cccnc1.
What is the InChIKey of 5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile?
The InChIKey is HBLCLMJWUVJGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN6/c22-18-6-2-1-5-15(18)20-16(10-23)19-7-9-27-28(19)21(17(20)11-24)26-13-14-4-3-8-25-12-14/h1-9,12,26H,13H2.
What are the key properties of 5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile?
5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile has a molecular weight of 384.83 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile is sourced from PubChem (CID 16660388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).