8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine

C79H68N22O — CID 146486621

IUPAC8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine
SMILESCc1coc2ccc(-c3cc(N[C@@H](c4cnn(C)c4)c4cnnn4C)cc4nccnc34)cc12.Cn1cc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1.Cn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1
InChIInChI=1S/2C27H23N7.C25H22N8O/c2*1-33-11-7-18-5-6-19(12-25(18)33)23-13-22(14-24-27(23)30-10-9-29-24)32-26(20-4-3-8-28-15-20)21-16-31-34(2)17-21;1-15-14-34-23-5-4-16(8-19(15)23)20-9-18(10-21-25(20)27-7-6-26-21)30-24(17-11-29-32(2)13-17)22-12-28-31-33(22)3/h2*3-17,26,32H,1-2H3;4-14,24,30H,1-3H3/t2*26-;24-/m100/s1
InChIKeyRJVOFFLRGMFZLP-KMPJXSORSA-N
MW1341.57 g/mol
LogP14.65
Rot. Bonds15

About 8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine

8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine (PubChem CID 146486621) has the molecular formula C79H68N22O and a molecular weight of 1341.57 g/mol. Its IUPAC name is 8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine.

Molecular Properties

Compound Name8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine
PubChem CID146486621
Molecular FormulaC79H68N22O
Molecular Weight1341.57 g/mol
Exact Mass1340.59
IUPAC Name8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine
SMILESCc1coc2ccc(-c3cc(N[C@@H](c4cnn(C)c4)c4cnnn4C)cc4nccnc34)cc12.Cn1cc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1.Cn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1
InChIInChI=1S/2C27H23N7.C25H22N8O/c2*1-33-11-7-18-5-6-19(12-25(18)33)23-13-22(14-24-27(23)30-10-9-29-24)32-26(20-4-3-8-28-15-20)21-16-31-34(2)17-21;1-15-14-34-23-5-4-16(8-19(15)23)20-9-18(10-21-25(20)27-7-6-26-21)30-24(17-11-29-32(2)13-17)22-12-28-31-33(22)3/h2*3-17,26,32H,1-2H3;4-14,24,30H,1-3H3/t2*26-;24-/m100/s1
InChIKeyRJVOFFLRGMFZLP-KMPJXSORSA-N
XLogP14.65
TPSA246.38 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001341.57
LogP ≤ 514.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine?
The IUPAC name of 8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine (CID 146486621) is 8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine.
What is the SMILES notation for 8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine?
The canonical SMILES for 8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine is Cc1coc2ccc(-c3cc(N[C@@H](c4cnn(C)c4)c4cnnn4C)cc4nccnc34)cc12.Cn1cc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1.Cn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1.
What is the InChIKey of 8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine?
The InChIKey is RJVOFFLRGMFZLP-KMPJXSORSA-N. The full InChI is InChI=1S/2C27H23N7.C25H22N8O/c2*1-33-11-7-18-5-6-19(12-25(18)33)23-13-22(14-24-27(23)30-10-9-29-24)32-26(20-4-3-8-28-15-20)21-16-31-34(2)17-21;1-15-14-34-23-5-4-16(8-19(15)23)20-9-18(10-21-25(20)27-7-6-26-21)30-24(17-11-29-32(2)13-17)22-12-28-31-33(22)3/h2*3-17,26,32H,1-2H3;4-14,24,30H,1-3H3/t2*26-;24-/m100/s1.
What are the key properties of 8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine?
8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine has a molecular weight of 1341.57 g/mol, XLogP of 14.65, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine is sourced from PubChem (CID 146486621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).