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

C24H34N4O6 — CID 91492715

IUPACpropan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCOc1nc(CCCO)ccc1Nc1nccc(OC2CCN(C(=O)OC(C)C)CC2)c1OC
InChIInChI=1S/C24H34N4O6/c1-16(2)33-24(30)28-13-10-18(11-14-28)34-20-9-12-25-22(21(20)31-3)27-19-8-7-17(6-5-15-29)26-23(19)32-4/h7-9,12,16,18,29H,5-6,10-11,13-15H2,1-4H3,(H,25,27)
InChIKeyOLWPWURGWDIZDK-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.55
Rot. Bonds10

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

propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 91492715) has the molecular formula C24H34N4O6 and a molecular weight of 474.56 g/mol. Its IUPAC name is propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID91492715
Molecular FormulaC24H34N4O6
Molecular Weight474.56 g/mol
Exact Mass474.25
IUPAC Namepropan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCOc1nc(CCCO)ccc1Nc1nccc(OC2CCN(C(=O)OC(C)C)CC2)c1OC
InChIInChI=1S/C24H34N4O6/c1-16(2)33-24(30)28-13-10-18(11-14-28)34-20-9-12-25-22(21(20)31-3)27-19-8-7-17(6-5-15-29)26-23(19)32-4/h7-9,12,16,18,29H,5-6,10-11,13-15H2,1-4H3,(H,25,27)
InChIKeyOLWPWURGWDIZDK-UHFFFAOYSA-N
XLogP3.55
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 11569941
propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 11496562
propan-2-yl 4-[[2-[[2-fluoro-6-(2-methoxyethoxy)-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 59314598
[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-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 143273552
[4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567432
[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-[[2-methoxy-6-(2-methylsulfonylethylamino)-3-pyridinyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11497516
propan-2-yl 4-[5-methoxy-6-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11503815
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propylsulfanyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11648576
[4-[[3-methoxy-2-[[2-methyl-6-(2-methylsulfonylethylamino)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567463
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11547948

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate (CID 91492715) is propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate is COc1nc(CCCO)ccc1Nc1nccc(OC2CCN(C(=O)OC(C)C)CC2)c1OC.
What is the InChIKey of propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is OLWPWURGWDIZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O6/c1-16(2)33-24(30)28-13-10-18(11-14-28)34-20-9-12-25-22(21(20)31-3)27-19-8-7-17(6-5-15-29)26-23(19)32-4/h7-9,12,16,18,29H,5-6,10-11,13-15H2,1-4H3,(H,25,27).
What are the key properties of propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 474.56 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 91492715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).