N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine

C25H30N6O2 — CID 118014709

IUPACN'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine
SMILES[2H]C([2H])([2H])n1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cc3n2)cn1
InChIInChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3/i3D3
InChIKeyOLAHOMJCDNXHFI-HPRDVNIFSA-N
MW449.57 g/mol
LogP4.18
Rot. Bonds10

About N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine

N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine (PubChem CID 118014709) has the molecular formula C25H30N6O2 and a molecular weight of 449.57 g/mol. Its IUPAC name is N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine
PubChem CID118014709
Molecular FormulaC25H30N6O2
Molecular Weight449.57 g/mol
Exact Mass449.26
IUPAC NameN'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine
SMILES[2H]C([2H])([2H])n1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cc3n2)cn1
InChIInChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3/i3D3
InChIKeyOLAHOMJCDNXHFI-HPRDVNIFSA-N
XLogP4.18
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine?
The IUPAC name of N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine (CID 118014709) is N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine?
The canonical SMILES for N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine is [2H]C([2H])([2H])n1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cc3n2)cn1.
What is the InChIKey of N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine?
The InChIKey is OLAHOMJCDNXHFI-HPRDVNIFSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3/i3D3.
What are the key properties of N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine?
N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine has a molecular weight of 449.57 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 118014709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).