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

C20H14BrClN6 — CID 16660560

IUPAC4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)c(N)c2c(Br)cnn2c1NCc1cccnc1
InChIInChI=1S/C20H14BrClN6/c21-15-11-27-28-19(15)18(24)17(13-5-1-2-6-16(13)22)14(8-23)20(28)26-10-12-4-3-7-25-9-12/h1-7,9,11,26H,10,24H2
InChIKeyWOPCSYFWQBGKHY-UHFFFAOYSA-N
MW453.73 g/mol
LogP4.88
Rot. Bonds4

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

4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile (PubChem CID 16660560) has the molecular formula C20H14BrClN6 and a molecular weight of 453.73 g/mol. Its IUPAC name is 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile
PubChem CID16660560
Molecular FormulaC20H14BrClN6
Molecular Weight453.73 g/mol
Exact Mass452.02
IUPAC Name4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)c(N)c2c(Br)cnn2c1NCc1cccnc1
InChIInChI=1S/C20H14BrClN6/c21-15-11-27-28-19(15)18(24)17(13-5-1-2-6-16(13)22)14(8-23)20(28)26-10-12-4-3-7-25-9-12/h1-7,9,11,26H,10,24H2
InChIKeyWOPCSYFWQBGKHY-UHFFFAOYSA-N
XLogP4.88
TPSA92.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.73
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile?
The IUPAC name of 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile (CID 16660560) is 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile.
What is the SMILES notation for 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile?
The canonical SMILES for 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile is N#Cc1c(-c2ccccc2Cl)c(N)c2c(Br)cnn2c1NCc1cccnc1.
What is the InChIKey of 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile?
The InChIKey is WOPCSYFWQBGKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN6/c21-15-11-27-28-19(15)18(24)17(13-5-1-2-6-16(13)22)14(8-23)20(28)26-10-12-4-3-7-25-9-12/h1-7,9,11,26H,10,24H2.
What are the key properties of 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile?
4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 453.73 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 16660560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).