ethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C25H38N4O7S — CID 143023194

IUPACethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC.COCCS(=O)(=O)c1ccc(Oc2ncnc(OC3CCN(C(=O)OC(C)C)CC3)c2C)c(C)n1
InChIInChI=1S/C23H32N4O7S.C2H6/c1-15(2)32-23(28)27-10-8-18(9-11-27)33-21-16(3)22(25-14-24-21)34-19-6-7-20(26-17(19)4)35(29,30)13-12-31-5;1-2/h6-7,14-15,18H,8-13H2,1-5H3;1-2H3
InChIKeyNAGOVRHAXORRMB-UHFFFAOYSA-N
MW538.67 g/mol
LogP4.12
Rot. Bonds9

About ethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

ethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 143023194) has the molecular formula C25H38N4O7S and a molecular weight of 538.67 g/mol. Its IUPAC name is ethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID143023194
Molecular FormulaC25H38N4O7S
Molecular Weight538.67 g/mol
Exact Mass538.25
IUPAC Nameethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC.COCCS(=O)(=O)c1ccc(Oc2ncnc(OC3CCN(C(=O)OC(C)C)CC3)c2C)c(C)n1
InChIInChI=1S/C23H32N4O7S.C2H6/c1-15(2)32-23(28)27-10-8-18(9-11-27)33-21-16(3)22(25-14-24-21)34-19-6-7-20(26-17(19)4)35(29,30)13-12-31-5;1-2/h6-7,14-15,18H,8-13H2,1-5H3;1-2H3
InChIKeyNAGOVRHAXORRMB-UHFFFAOYSA-N
XLogP4.12
TPSA130.04 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Isopropyl 4-((5-methoxy-6-((2-methyl-6-(methylsulfonyl)pyridin-3-yl)amino)pyrimidin-4-yl)oxy)piperidine-1-carboxylate
CID 11691484
1-Methylcyclopropyl 4-(5-Fluoro-6-(2-methyl-6-(methylsulfonyl)pyridin-3-yloxy)pyrimidin-4-yloxy)piperidine-1-carboxylate
CID 66574514
Isopropyl 4-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)piperidine-1-carboxylate
CID 16036825
Propan-2-yl 4-[5-ethoxy-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11663249
Propan-2-yl 4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propan-2-yloxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11677830
tert-Butyl 4-(5-Fluoro-6-(2-methyl-6-(methylsulfonyl)pyridin-3-yloxy)pyrimidin-4-yloxy)piperidine-1-carboxylate
CID 86709924
Propan-2-yl 4-[5-methyl-6-[(4-methyl-6-methylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57392379
Propan-2-yl 4-[6-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57397676
Propan-2-yl 4-[5-methyl-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57399344
Propan-2-yl 4-[6-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57402128
Propan-2-yl 4-[5-ethyl-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57402865
propan-2-yl (1S,5R)-3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 76320659

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of ethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 143023194) is ethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for ethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for ethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is CC.COCCS(=O)(=O)c1ccc(Oc2ncnc(OC3CCN(C(=O)OC(C)C)CC3)c2C)c(C)n1.
What is the InChIKey of ethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is NAGOVRHAXORRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O7S.C2H6/c1-15(2)32-23(28)27-10-8-18(9-11-27)33-21-16(3)22(25-14-24-21)34-19-6-7-20(26-17(19)4)35(29,30)13-12-31-5;1-2/h6-7,14-15,18H,8-13H2,1-5H3;1-2H3.
What are the key properties of ethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
ethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 538.67 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yl 4-[6-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 143023194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).