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

C25H35FN4O4 — CID 59856784

IUPACpropan-2-yl 4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCc1c(OC2CCN(C(=O)OC(C)C)CC2)ccnc1Nc1cnc(CCOC(C)C)cc1F
InChIInChI=1S/C25H35FN4O4/c1-16(2)32-13-9-19-14-21(26)22(15-28-19)29-24-18(5)23(6-10-27-24)34-20-7-11-30(12-8-20)25(31)33-17(3)4/h6,10,14-17,20H,7-9,11-13H2,1-5H3,(H,27,29)
InChIKeyCEUZULGFNSAYSX-UHFFFAOYSA-N
MW474.58 g/mol
LogP5.02
Rot. Bonds9

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

propan-2-yl 4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 59856784) has the molecular formula C25H35FN4O4 and a molecular weight of 474.58 g/mol. Its IUPAC name is propan-2-yl 4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID59856784
Molecular FormulaC25H35FN4O4
Molecular Weight474.58 g/mol
Exact Mass474.26
IUPAC Namepropan-2-yl 4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCc1c(OC2CCN(C(=O)OC(C)C)CC2)ccnc1Nc1cnc(CCOC(C)C)cc1F
InChIInChI=1S/C25H35FN4O4/c1-16(2)32-13-9-19-14-21(26)22(15-28-19)29-24-18(5)23(6-10-27-24)34-20-7-11-30(12-8-20)25(31)33-17(3)4/h6,10,14-17,20H,7-9,11-13H2,1-5H3,(H,27,29)
InChIKeyCEUZULGFNSAYSX-UHFFFAOYSA-N
XLogP5.02
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidine-1-carboxylate (CID 59856784) is propan-2-yl 4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidine-1-carboxylate is Cc1c(OC2CCN(C(=O)OC(C)C)CC2)ccnc1Nc1cnc(CCOC(C)C)cc1F.
What is the InChIKey of propan-2-yl 4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is CEUZULGFNSAYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN4O4/c1-16(2)32-13-9-19-14-21(26)22(15-28-19)29-24-18(5)23(6-10-27-24)34-20-7-11-30(12-8-20)25(31)33-17(3)4/h6,10,14-17,20H,7-9,11-13H2,1-5H3,(H,27,29).
What are the key properties of propan-2-yl 4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidine-1-carboxylate?
propan-2-yl 4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 474.58 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 59856784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).