N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

C26H24N8 — CID 134509286

IUPACN-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCn1cc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cncn2C)cn1
InChIInChI=1S/C26H24N8/c1-32-9-6-17-4-5-18(10-23(17)32)21-11-20(12-22-26(21)29-8-7-28-22)31-25(19-13-30-34(3)15-19)24-14-27-16-33(24)2/h4-16,25,31H,1-3H3/t25-/m1/s1
InChIKeyRMBDRWCPHIFSER-RUZDIDTESA-N
MW448.53 g/mol
LogP4.46
Rot. Bonds5

About N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (PubChem CID 134509286) has the molecular formula C26H24N8 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
PubChem CID134509286
Molecular FormulaC26H24N8
Molecular Weight448.53 g/mol
Exact Mass448.21
IUPAC NameN-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCn1cc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cncn2C)cn1
InChIInChI=1S/C26H24N8/c1-32-9-6-17-4-5-18(10-23(17)32)21-11-20(12-22-26(21)29-8-7-28-22)31-25(19-13-30-34(3)15-19)24-14-27-16-33(24)2/h4-16,25,31H,1-3H3/t25-/m1/s1
InChIKeyRMBDRWCPHIFSER-RUZDIDTESA-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-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The IUPAC name of N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (CID 134509286) is N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.
What is the SMILES notation for N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The canonical SMILES for N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is Cn1cc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cncn2C)cn1.
What is the InChIKey of N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The InChIKey is RMBDRWCPHIFSER-RUZDIDTESA-N. The full InChI is InChI=1S/C26H24N8/c1-32-9-6-17-4-5-18(10-23(17)32)21-11-20(12-22-26(21)29-8-7-28-22)31-25(19-13-30-34(3)15-19)24-14-27-16-33(24)2/h4-16,25,31H,1-3H3/t25-/m1/s1.
What are the key properties of N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
N-[(R)-(3-methylimidazol-4-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-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is sourced from PubChem (CID 134509286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).