2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide

C23H26N10O — CID 71699911

IUPAC2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CN1CCN(C)CC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C23H26N10O/c1-16(27-28-21(34)15-32-10-8-31(2)9-11-32)20-13-25-22-23(26-20)33(30-29-22)14-17-5-6-19-18(12-17)4-3-7-24-19/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,28,34)/b27-16+
InChIKeyOZDXJYYURNAXQK-JVWAILMASA-N
MW458.53 g/mol
LogP0.91
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide

2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide (PubChem CID 71699911) has the molecular formula C23H26N10O and a molecular weight of 458.53 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide
PubChem CID71699911
Molecular FormulaC23H26N10O
Molecular Weight458.53 g/mol
Exact Mass458.23
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CN1CCN(C)CC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C23H26N10O/c1-16(27-28-21(34)15-32-10-8-31(2)9-11-32)20-13-25-22-23(26-20)33(30-29-22)14-17-5-6-19-18(12-17)4-3-7-24-19/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,28,34)/b27-16+
InChIKeyOZDXJYYURNAXQK-JVWAILMASA-N
XLogP0.91
TPSA117.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide (CID 71699911) is 2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide is C/C(=N\NC(=O)CN1CCN(C)CC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide?
The InChIKey is OZDXJYYURNAXQK-JVWAILMASA-N. The full InChI is InChI=1S/C23H26N10O/c1-16(27-28-21(34)15-32-10-8-31(2)9-11-32)20-13-25-22-23(26-20)33(30-29-22)14-17-5-6-19-18(12-17)4-3-7-24-19/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,28,34)/b27-16+.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide?
2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide has a molecular weight of 458.53 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide is sourced from PubChem (CID 71699911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).