propan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate

C23H31FN4O6 — CID 11662963

IUPACpropan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCOc1c(Nc2ccc(OCCO)nc2C)ncc(F)c1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C23H31FN4O6/c1-14(2)33-23(30)28-9-7-16(8-10-28)34-20-17(24)13-25-22(21(20)31-4)27-18-5-6-19(26-15(18)3)32-12-11-29/h5-6,13-14,16,29H,7-12H2,1-4H3,(H,25,27)
InChIKeyRYEXGNAIMKHPSM-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.44
Rot. Bonds9

About propan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate

propan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 11662963) has the molecular formula C23H31FN4O6 and a molecular weight of 478.52 g/mol. Its IUPAC name is propan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID11662963
Molecular FormulaC23H31FN4O6
Molecular Weight478.52 g/mol
Exact Mass478.22
IUPAC Namepropan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCOc1c(Nc2ccc(OCCO)nc2C)ncc(F)c1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C23H31FN4O6/c1-14(2)33-23(30)28-9-7-16(8-10-28)34-20-17(24)13-25-22(21(20)31-4)27-18-5-6-19(26-15(18)3)32-12-11-29/h5-6,13-14,16,29H,7-12H2,1-4H3,(H,25,27)
InChIKeyRYEXGNAIMKHPSM-UHFFFAOYSA-N
XLogP3.44
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate (CID 11662963) is propan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate is COc1c(Nc2ccc(OCCO)nc2C)ncc(F)c1OC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is RYEXGNAIMKHPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O6/c1-14(2)33-23(30)28-9-7-16(8-10-28)34-20-17(24)13-25-22(21(20)31-4)27-18-5-6-19(26-15(18)3)32-12-11-29/h5-6,13-14,16,29H,7-12H2,1-4H3,(H,25,27).
What are the key properties of propan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
propan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 478.52 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[5-fluoro-2-[[6-(2-hydroxyethoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 11662963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).