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

C42H25BrCl2N12 — CID 157132924

IUPAC3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILES[C-]#[N+]c1c(-c2ccccc2Cl)c(C#N)c2c(Br)cnn2c1NCc1cccnc1.[C-]#[N+]c1c(-c2ccccc2Cl)c(C#N)c2ccnn2c1NCc1cccnc1
InChIInChI=1S/C21H12BrClN6.C21H13ClN6/c1-25-19-18(14-6-2-3-7-17(14)23)15(9-24)20-16(22)12-28-29(20)21(19)27-11-13-5-4-8-26-10-13;1-24-20-19(15-6-2-3-7-17(15)22)16(11-23)18-8-10-27-28(18)21(20)26-13-14-5-4-9-25-12-14/h2-8,10,12,27H,11H2;2-10,12,26H,13H2
InChIKeyAJGZYQAHIHWHCO-UHFFFAOYSA-N
MW848.56 g/mol
LogP10.93
Rot. Bonds8

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

3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 157132924) has the molecular formula C42H25BrCl2N12 and a molecular weight of 848.56 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID157132924
Molecular FormulaC42H25BrCl2N12
Molecular Weight848.56 g/mol
Exact Mass846.09
IUPAC Name3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILES[C-]#[N+]c1c(-c2ccccc2Cl)c(C#N)c2c(Br)cnn2c1NCc1cccnc1.[C-]#[N+]c1c(-c2ccccc2Cl)c(C#N)c2ccnn2c1NCc1cccnc1
InChIInChI=1S/C21H12BrClN6.C21H13ClN6/c1-25-19-18(14-6-2-3-7-17(14)23)15(9-24)20-16(22)12-28-29(20)21(19)27-11-13-5-4-8-26-10-13;1-24-20-19(15-6-2-3-7-17(15)22)16(11-23)18-8-10-27-28(18)21(20)26-13-14-5-4-9-25-12-14/h2-8,10,12,27H,11H2;2-10,12,26H,13H2
InChIKeyAJGZYQAHIHWHCO-UHFFFAOYSA-N
XLogP10.93
TPSA140.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.56
LogP ≤ 510.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
CID 59263768
5-[2-(iodomethyl)phenyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile
CID 89376651
3-bromo-5-(2-bromophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066638
6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile
CID 71211913
2-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 19259264
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67222385
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen
CID 158886833
2-bromo-6-[3-(pyridin-3-ylmethylamino)propylamino]benzonitrile
CID 114884800
2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile
CID 29036481
5-bromo-2-(pyridin-3-ylmethylamino)benzonitrile
CID 78994250

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 157132924) is 3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile is [C-]#[N+]c1c(-c2ccccc2Cl)c(C#N)c2c(Br)cnn2c1NCc1cccnc1.[C-]#[N+]c1c(-c2ccccc2Cl)c(C#N)c2ccnn2c1NCc1cccnc1.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is AJGZYQAHIHWHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12BrClN6.C21H13ClN6/c1-25-19-18(14-6-2-3-7-17(14)23)15(9-24)20-16(22)12-28-29(20)21(19)27-11-13-5-4-8-26-10-13;1-24-20-19(15-6-2-3-7-17(15)22)16(11-23)18-8-10-27-28(18)21(20)26-13-14-5-4-9-25-12-14/h2-8,10,12,27H,11H2;2-10,12,26H,13H2.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 848.56 g/mol, XLogP of 10.93, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;5-(2-chlorophenyl)-6-isocyano-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 157132924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).