[4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate

C23H30FN3O6 — CID 68567838

IUPAC[4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
SMILESCOc1c(OC2CCN(OC(=O)OC(C)C)CC2)ccnc1Nc1ccc(CCO)cc1F
InChIInChI=1S/C23H30FN3O6/c1-15(2)31-23(29)33-27-11-7-17(8-12-27)32-20-6-10-25-22(21(20)30-3)26-19-5-4-16(9-13-28)14-18(19)24/h4-6,10,14-15,17,28H,7-9,11-13H2,1-3H3,(H,25,26)
InChIKeyNGCYMIVPYOWVES-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.83
Rot. Bonds9

About [4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate

[4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate (PubChem CID 68567838) has the molecular formula C23H30FN3O6 and a molecular weight of 463.51 g/mol. Its IUPAC name is [4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
PubChem CID68567838
Molecular FormulaC23H30FN3O6
Molecular Weight463.51 g/mol
Exact Mass463.21
IUPAC Name[4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
SMILESCOc1c(OC2CCN(OC(=O)OC(C)C)CC2)ccnc1Nc1ccc(CCO)cc1F
InChIInChI=1S/C23H30FN3O6/c1-15(2)31-23(29)33-27-11-7-17(8-12-27)32-20-6-10-25-22(21(20)30-3)26-19-5-4-16(9-13-28)14-18(19)24/h4-6,10,14-15,17,28H,7-9,11-13H2,1-3H3,(H,25,26)
InChIKeyNGCYMIVPYOWVES-UHFFFAOYSA-N
XLogP3.83
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate with MolForge

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Launch Full Analysis

Related Compounds

[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
[4-[[2-(2-fluoro-4-methylsulfonylanilino)-3-hydroxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68564988
[4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68534432
[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-[[3-ethoxy-2-[2-fluoro-4-[2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl]anilino]-4-pyridinyl]oxy]piperidin-1-yl] hydrogen carbonate
CID 68570195
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-[[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-[6-[2,5-difluoro-4-(2-methoxyethoxy)anilino]-5-methylpyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68534067
propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 11569941
[4-[5-cyano-6-[4-(dimethylamino)-2-fluoroanilino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68533845

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
The IUPAC name of [4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate (CID 68567838) is [4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate.
What is the SMILES notation for [4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
The canonical SMILES for [4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate is COc1c(OC2CCN(OC(=O)OC(C)C)CC2)ccnc1Nc1ccc(CCO)cc1F.
What is the InChIKey of [4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
The InChIKey is NGCYMIVPYOWVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O6/c1-15(2)31-23(29)33-27-11-7-17(8-12-27)32-20-6-10-25-22(21(20)30-3)26-19-5-4-16(9-13-28)14-18(19)24/h4-6,10,14-15,17,28H,7-9,11-13H2,1-3H3,(H,25,26).
What are the key properties of [4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
[4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate has a molecular weight of 463.51 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate is sourced from PubChem (CID 68567838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).