tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate

C20H23F3N8O3 — CID 155594867

IUPACtert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CNc2cc(Nc3cnc(C#N)cn3)nnc2C(F)(F)F)C1
InChIInChI=1S/C20H23F3N8O3/c1-19(2,3)34-18(32)31-4-5-33-13(11-31)9-26-14-6-15(29-30-17(14)20(21,22)23)28-16-10-25-12(7-24)8-27-16/h6,8,10,13H,4-5,9,11H2,1-3H3,(H2,26,27,28,29)
InChIKeyRHNFYXDMWZNAMX-UHFFFAOYSA-N
MW480.45 g/mol
LogP2.95
Rot. Bonds5

About tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate

tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate (PubChem CID 155594867) has the molecular formula C20H23F3N8O3 and a molecular weight of 480.45 g/mol. Its IUPAC name is tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate
PubChem CID155594867
Molecular FormulaC20H23F3N8O3
Molecular Weight480.45 g/mol
Exact Mass480.18
IUPAC Nametert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CNc2cc(Nc3cnc(C#N)cn3)nnc2C(F)(F)F)C1
InChIInChI=1S/C20H23F3N8O3/c1-19(2,3)34-18(32)31-4-5-33-13(11-31)9-26-14-6-15(29-30-17(14)20(21,22)23)28-16-10-25-12(7-24)8-27-16/h6,8,10,13H,4-5,9,11H2,1-3H3,(H2,26,27,28,29)
InChIKeyRHNFYXDMWZNAMX-UHFFFAOYSA-N
XLogP2.95
TPSA138.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate with MolForge

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Related Compounds

5-[[6-(1,1-difluoroethyl)-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595018
tert-butyl 2-[[[6-[(6-cyano-3-pyridinyl)amino]-3-(1-methylpyrazol-4-yl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate
CID 164599229
5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594661
5-[[5-(piperidin-4-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 175303051
5-[[5-[(3,5-dimethylmorpholin-2-yl)methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595045
5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594612
tert-butyl 4-[[[5-amino-2-[(5-cyanopyrazin-2-yl)amino]-4-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 59613544
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridine-3-carboxylate
CID 59613326
tert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate
CID 156693662
tert-butyl 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholine-4-carboxylate
CID 90966020
tert-butyl 4-[[[2-[(5-cyanopyrazin-2-yl)amino]-5-(4-methylphenyl)-4-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 143784518
tert-butyl (2S)-3-tert-butyl-2-[[[2-[(5-cyanopyrazin-2-yl)amino]-5-(4-methoxyphenyl)-4-pyridinyl]amino]methyl]morpholine-4-carboxylate
CID 91203140

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate (CID 155594867) is tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(CNc2cc(Nc3cnc(C#N)cn3)nnc2C(F)(F)F)C1.
What is the InChIKey of tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate?
The InChIKey is RHNFYXDMWZNAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N8O3/c1-19(2,3)34-18(32)31-4-5-33-13(11-31)9-26-14-6-15(29-30-17(14)20(21,22)23)28-16-10-25-12(7-24)8-27-16/h6,8,10,13H,4-5,9,11H2,1-3H3,(H2,26,27,28,29).
What are the key properties of tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate?
tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate has a molecular weight of 480.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 155594867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).