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

C81H69N23O2 — CID 146486669

IUPACN-[(R)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine
SMILESCOc1ccc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)nn1.COc1ccc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)nn1.Cn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cnnn2C)cn1
InChIInChI=1S/2C28H23N7O.C25H23N9/c2*1-35-13-9-18-5-6-19(14-25(18)35)22-15-21(16-24-28(22)31-12-11-30-24)32-27(20-4-3-10-29-17-20)23-7-8-26(36-2)34-33-23;1-32-9-6-16-4-5-17(10-22(16)32)20-11-19(12-21-25(20)27-8-7-26-21)30-24(18-13-29-33(2)15-18)23-14-28-31-34(23)3/h2*3-17,27,32H,1-2H3;4-15,24,30H,1-3H3/t2*27-;24-/m100/s1
InChIKeyOSNIBTWRLSRKHV-YGQFBOTGSA-N
MW1396.60 g/mol
LogP14.22
Rot. Bonds17

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

N-[(R)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine (PubChem CID 146486669) has the molecular formula C81H69N23O2 and a molecular weight of 1396.60 g/mol. Its IUPAC name is N-[(R)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(R)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine
PubChem CID146486669
Molecular FormulaC81H69N23O2
Molecular Weight1396.60 g/mol
Exact Mass1395.60
IUPAC NameN-[(R)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine
SMILESCOc1ccc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)nn1.COc1ccc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)nn1.Cn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cnnn2C)cn1
InChIInChI=1S/2C28H23N7O.C25H23N9/c2*1-35-13-9-18-5-6-19(14-25(18)35)22-15-21(16-24-28(22)31-12-11-30-24)32-27(20-4-3-10-29-17-20)23-7-8-26(36-2)34-33-23;1-32-9-6-16-4-5-17(10-22(16)32)20-11-19(12-21-25(20)27-8-7-26-21)30-24(18-13-29-33(2)15-18)23-14-28-31-34(23)3/h2*3-17,27,32H,1-2H3;4-15,24,30H,1-3H3/t2*27-;24-/m100/s1
InChIKeyOSNIBTWRLSRKHV-YGQFBOTGSA-N
XLogP14.22
TPSA272.55 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001396.60
LogP ≤ 514.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine?
The IUPAC name of N-[(R)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine (CID 146486669) is N-[(R)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine.
What is the SMILES notation for N-[(R)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine?
The canonical SMILES for N-[(R)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine is COc1ccc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)nn1.COc1ccc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)nn1.Cn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cnnn2C)cn1.
What is the InChIKey of N-[(R)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine?
The InChIKey is OSNIBTWRLSRKHV-YGQFBOTGSA-N. The full InChI is InChI=1S/2C28H23N7O.C25H23N9/c2*1-35-13-9-18-5-6-19(14-25(18)35)22-15-21(16-24-28(22)31-12-11-30-24)32-27(20-4-3-10-29-17-20)23-7-8-26(36-2)34-33-23;1-32-9-6-16-4-5-17(10-22(16)32)20-11-19(12-21-25(20)27-8-7-26-21)30-24(18-13-29-33(2)15-18)23-14-28-31-34(23)3/h2*3-17,27,32H,1-2H3;4-15,24,30H,1-3H3/t2*27-;24-/m100/s1.
What are the key properties of N-[(R)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine?
N-[(R)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine has a molecular weight of 1396.60 g/mol, XLogP of 14.22, 17 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]quinoxalin-6-amine is sourced from PubChem (CID 146486669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).