4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide

C28H30Cl2N10O — CID 25168590

About 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide

4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 25168590) has the molecular formula C28H30Cl2N10O and a molecular weight of 593.52 g/mol. Its IUPAC name is 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide
• PubChem CID: 25168590
• Molecular Formula: C28H30Cl2N10O
• Molecular Weight: 593.52 g/mol
• Exact Mass: 592.20
• IUPAC Name: 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide
• SMILES: CN1CCN(CCNC(=O)c2cc3c(NCCNc4ccc(C#N)cn4)nc(-c4ccc(Cl)cc4Cl)cn3n2)CC1
• InChI: InChI=1S/C28H30Cl2N10O/c1-38-10-12-39(13-11-38)9-8-34-28(41)23-15-25-27(33-7-6-32-26-5-2-19(16-31)17-35-26)36-24(18-40(25)37-23)21-4-3-20(29)14-22(21)30/h2-5,14-15,17-18H,6-13H2,1H3,(H,32,35)(H,33,36)(H,34,41)
• InChIKey: XPXISBBLUNSHKM-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 126.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.52
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?

The IUPAC name of 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 25168590) is 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide.

What is the SMILES notation for 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?

The canonical SMILES for 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide is CN1CCN(CCNC(=O)c2cc3c(NCCNc4ccc(C#N)cn4)nc(-c4ccc(Cl)cc4Cl)cn3n2)CC1.

What is the InChIKey of 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?

The InChIKey is XPXISBBLUNSHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N10O/c1-38-10-12-39(13-11-38)9-8-34-28(41)23-15-25-27(33-7-6-32-26-5-2-19(16-31)17-35-26)36-24(18-40(25)37-23)21-4-3-20(29)14-22(21)30/h2-5,14-15,17-18H,6-13H2,1H3,(H,32,35)(H,33,36)(H,34,41).

What are the key properties of 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?

4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 593.52 g/mol, XLogP of 3.47, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-6-(2,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 25168590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).