4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile

C21H14Cl2N8 — CID 67060351

IUPAC4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESN#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cn3nc(C#N)cc23)nc1
InChIInChI=1S/C21H14Cl2N8/c22-14-2-3-16(17(23)7-14)18-12-31-19(8-15(10-25)30-31)21(29-18)27-6-5-26-20-4-1-13(9-24)11-28-20/h1-4,7-8,11-12H,5-6H2,(H,26,28)(H,27,29)
InChIKeyHQIVFIUIZJQBSS-UHFFFAOYSA-N
MW449.31 g/mol
LogP4.37
Rot. Bonds6

About 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile

4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile (PubChem CID 67060351) has the molecular formula C21H14Cl2N8 and a molecular weight of 449.31 g/mol. Its IUPAC name is 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile
PubChem CID67060351
Molecular FormulaC21H14Cl2N8
Molecular Weight449.31 g/mol
Exact Mass448.07
IUPAC Name4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESN#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cn3nc(C#N)cc23)nc1
InChIInChI=1S/C21H14Cl2N8/c22-14-2-3-16(17(23)7-14)18-12-31-19(8-15(10-25)30-31)21(29-18)27-6-5-26-20-4-1-13(9-24)11-28-20/h1-4,7-8,11-12H,5-6H2,(H,26,28)(H,27,29)
InChIKeyHQIVFIUIZJQBSS-UHFFFAOYSA-N
XLogP4.37
TPSA114.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.31
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]acetic acid
CID 58170028
(2S)-2-[[4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]but-3-enoic acid
CID 163524982
1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone
CID 143740642
6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile
CID 18334974
5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide
CID 59312928
5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide
CID 59313163
ethyl 4-[2-[(4-amino-5-cyano-1,3-thiazol-2-yl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 86651630
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile
CID 159246225
6-[4-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]butylamino]pyridine-3-carbonitrile
CID 156527383
4-amino-2-[3-[[6-(2,4-dichlorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]propyl]-1,3-thiazole-5-carbonitrile
CID 58170091
6-[2-[[7-(4-chloro-2-hydroxyphenyl)-2-(morpholine-4-carbonyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 145476592

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The IUPAC name of 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile (CID 67060351) is 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile.
What is the SMILES notation for 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The canonical SMILES for 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile is N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cn3nc(C#N)cc23)nc1.
What is the InChIKey of 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The InChIKey is HQIVFIUIZJQBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N8/c22-14-2-3-16(17(23)7-14)18-12-31-19(8-15(10-25)30-31)21(29-18)27-6-5-26-20-4-1-13(9-24)11-28-20/h1-4,7-8,11-12H,5-6H2,(H,26,28)(H,27,29).
What are the key properties of 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile?
4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile has a molecular weight of 449.31 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile is sourced from PubChem (CID 67060351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).