N-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

C26H24N8 — CID 134497841

IUPACN-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2nccn2C)cn1
InChIInChI=1S/C26H24N8/c1-32-10-6-17-4-5-18(12-23(17)32)21-13-20(14-22-25(21)28-8-7-27-22)31-24(19-15-30-34(3)16-19)26-29-9-11-33(26)2/h4-16,24,31H,1-3H3/t24-/m0/s1
InChIKeyRTXPRXHGHVQUIA-DEOSSOPVSA-N
MW448.53 g/mol
LogP4.46
Rot. Bonds5

About N-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

N-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (PubChem CID 134497841) has the molecular formula C26H24N8 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
PubChem CID134497841
Molecular FormulaC26H24N8
Molecular Weight448.53 g/mol
Exact Mass448.21
IUPAC NameN-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2nccn2C)cn1
InChIInChI=1S/C26H24N8/c1-32-10-6-17-4-5-18(12-23(17)32)21-13-20(14-22-25(21)28-8-7-27-22)31-24(19-15-30-34(3)16-19)26-29-9-11-33(26)2/h4-16,24,31H,1-3H3/t24-/m0/s1
InChIKeyRTXPRXHGHVQUIA-DEOSSOPVSA-N
XLogP4.46
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The IUPAC name of N-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (CID 134497841) is N-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.
What is the SMILES notation for N-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The canonical SMILES for N-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is Cn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2nccn2C)cn1.
What is the InChIKey of N-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The InChIKey is RTXPRXHGHVQUIA-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H24N8/c1-32-10-6-17-4-5-18(12-23(17)32)21-13-20(14-22-25(21)28-8-7-27-22)31-24(19-15-30-34(3)16-19)26-29-9-11-33(26)2/h4-16,24,31H,1-3H3/t24-/m0/s1.
What are the key properties of N-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
N-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine has a molecular weight of 448.53 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is sourced from PubChem (CID 134497841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).