tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate

C26H34N6O4 — CID 146273144

IUPACtert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate
SMILESCc1ccc(-c2noc(C)c2Cn2ncc(N3CC(C)N(C(=O)OC(C)(C)C)C(C)C3)cc2=O)cn1
InChIInChI=1S/C26H34N6O4/c1-16-8-9-20(11-27-16)24-22(19(4)36-29-24)15-31-23(33)10-21(12-28-31)30-13-17(2)32(18(3)14-30)25(34)35-26(5,6)7/h8-12,17-18H,13-15H2,1-7H3
InChIKeyCYCHYAGFOFLSBV-UHFFFAOYSA-N
MW494.60 g/mol
LogP3.79
Rot. Bonds4

About tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate

tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate (PubChem CID 146273144) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate
PubChem CID146273144
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC Nametert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate
SMILESCc1ccc(-c2noc(C)c2Cn2ncc(N3CC(C)N(C(=O)OC(C)(C)C)C(C)C3)cc2=O)cn1
InChIInChI=1S/C26H34N6O4/c1-16-8-9-20(11-27-16)24-22(19(4)36-29-24)15-31-23(33)10-21(12-28-31)30-13-17(2)32(18(3)14-30)25(34)35-26(5,6)7/h8-12,17-18H,13-15H2,1-7H3
InChIKeyCYCHYAGFOFLSBV-UHFFFAOYSA-N
XLogP3.79
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 156635668
2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one
CID 146273155
2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one
CID 146272718
5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
CID 146272765
5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one
CID 146272775
2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(4-methoxy-4-methylpiperidin-1-yl)pyridazin-3-one
CID 146273002
5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
CID 146272736
2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-[(8R)-8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyridazin-3-one
CID 146275225
2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 146273099
tert-butyl (2S,6R)-2,6-dimethyl-4-(2-methylpyrimidin-5-yl)piperazine-1-carboxylate
CID 156524124
4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
CID 146272646
tert-butyl (2S,6R)-4-(6-amino-3-pyridinyl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895169

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate (CID 146273144) is tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate is Cc1ccc(-c2noc(C)c2Cn2ncc(N3CC(C)N(C(=O)OC(C)(C)C)C(C)C3)cc2=O)cn1.
What is the InChIKey of tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate?
The InChIKey is CYCHYAGFOFLSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4/c1-16-8-9-20(11-27-16)24-22(19(4)36-29-24)15-31-23(33)10-21(12-28-31)30-13-17(2)32(18(3)14-30)25(34)35-26(5,6)7/h8-12,17-18H,13-15H2,1-7H3.
What are the key properties of tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate?
tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate has a molecular weight of 494.60 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 146273144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).