propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate

C24H34N4O7S — CID 11569941

IUPACpropan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCOc1nc(CCS(C)(=O)=O)ccc1Nc1nccc(OC2CCN(C(=O)OC(C)C)CC2)c1OC
InChIInChI=1S/C24H34N4O7S/c1-16(2)34-24(29)28-13-9-18(10-14-28)35-20-8-12-25-22(21(20)32-3)27-19-7-6-17(26-23(19)33-4)11-15-36(5,30)31/h6-8,12,16,18H,9-11,13-15H2,1-5H3,(H,25,27)
InChIKeyQUOMJWCWXWPGFQ-UHFFFAOYSA-N
MW522.62 g/mol
LogP3.21
Rot. Bonds10

About propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate

propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 11569941) has the molecular formula C24H34N4O7S and a molecular weight of 522.62 g/mol. Its IUPAC name is propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID11569941
Molecular FormulaC24H34N4O7S
Molecular Weight522.62 g/mol
Exact Mass522.21
IUPAC Namepropan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCOc1nc(CCS(C)(=O)=O)ccc1Nc1nccc(OC2CCN(C(=O)OC(C)C)CC2)c1OC
InChIInChI=1S/C24H34N4O7S/c1-16(2)34-24(29)28-13-9-18(10-14-28)35-20-8-12-25-22(21(20)32-3)27-19-7-6-17(26-23(19)33-4)11-15-36(5,30)31/h6-8,12,16,18H,9-11,13-15H2,1-5H3,(H,25,27)
InChIKeyQUOMJWCWXWPGFQ-UHFFFAOYSA-N
XLogP3.21
TPSA129.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.62
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 91492715
propan-2-yl 4-[5-methoxy-6-[[2-methoxy-6-(2-methylsulfonylethylamino)-3-pyridinyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11497516
propan-2-yl 4-[[2-[[2-fluoro-6-(2-methoxyethoxy)-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 59314598
propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 11496562
[4-[[3-methoxy-2-[[2-methyl-6-(2-methylsulfonylethylamino)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567463
[4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567438
[4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567432
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11547948
4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 143273552
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propan-2-ylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11613117
[4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567838
propan-2-yl 4-[5-methoxy-6-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11503815

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate (CID 11569941) is propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate is COc1nc(CCS(C)(=O)=O)ccc1Nc1nccc(OC2CCN(C(=O)OC(C)C)CC2)c1OC.
What is the InChIKey of propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is QUOMJWCWXWPGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O7S/c1-16(2)34-24(29)28-13-9-18(10-14-28)35-20-8-12-25-22(21(20)32-3)27-19-7-6-17(26-23(19)33-4)11-15-36(5,30)31/h6-8,12,16,18H,9-11,13-15H2,1-5H3,(H,25,27).
What are the key properties of propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate?
propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 522.62 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 11569941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).