1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone

C24H24Cl2N6O — CID 143740642

IUPAC1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone
SMILESCC(=O)c1cc2c(NCCNc3ccc(C(C)C)cn3)nc(-c3ccc(Cl)cc3Cl)cn2n1
InChIInChI=1S/C24H24Cl2N6O/c1-14(2)16-4-7-23(29-12-16)27-8-9-28-24-22-11-20(15(3)33)31-32(22)13-21(30-24)18-6-5-17(25)10-19(18)26/h4-7,10-14H,8-9H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyTZVJRTSJDNYPSZ-UHFFFAOYSA-N
MW483.40 g/mol
LogP5.95
Rot. Bonds8

About 1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone

1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone (PubChem CID 143740642) has the molecular formula C24H24Cl2N6O and a molecular weight of 483.40 g/mol. Its IUPAC name is 1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone
PubChem CID143740642
Molecular FormulaC24H24Cl2N6O
Molecular Weight483.40 g/mol
Exact Mass482.14
IUPAC Name1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone
SMILESCC(=O)c1cc2c(NCCNc3ccc(C(C)C)cn3)nc(-c3ccc(Cl)cc3Cl)cn2n1
InChIInChI=1S/C24H24Cl2N6O/c1-14(2)16-4-7-23(29-12-16)27-8-9-28-24-22-11-20(15(3)33)31-32(22)13-21(30-24)18-6-5-17(25)10-19(18)26/h4-7,10-14H,8-9H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyTZVJRTSJDNYPSZ-UHFFFAOYSA-N
XLogP5.95
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.40
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carbonitrile
CID 67060351
(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
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
2-[(5-propan-2-yl-2-pyridinyl)amino]ethanol
CID 134516865
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-6-(2,4-dichlorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine;2,2,2-trifluoroacetic acid
CID 123447063
1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone
CID 59313115
5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide
CID 59313163
N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide
CID 21354466
N-[3-[3-(2,4-dichlorophenyl)pyrrol-1-yl]propyl]-5-nitropyridin-2-amine
CID 141085826
2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine
CID 71065495
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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone?
The IUPAC name of 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) is 1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone.
What is the SMILES notation for 1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone?
The canonical SMILES for 1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone is CC(=O)c1cc2c(NCCNc3ccc(C(C)C)cn3)nc(-c3ccc(Cl)cc3Cl)cn2n1.
What is the InChIKey of 1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone?
The InChIKey is TZVJRTSJDNYPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N6O/c1-14(2)16-4-7-23(29-12-16)27-8-9-28-24-22-11-20(15(3)33)31-32(22)13-21(30-24)18-6-5-17(25)10-19(18)26/h4-7,10-14H,8-9H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone?
1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone has a molecular weight of 483.40 g/mol, XLogP of 5.95, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-dichlorophenyl)-4-[2-[(5-propan-2-yl-2-pyridinyl)amino]ethylamino]pyrazolo[1,5-a]pyrazin-2-yl]ethanone is sourced from PubChem (CID 143740642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).