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

C25H35FN4O5 — CID 68534432

IUPAC[4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
SMILESCc1c(OC2CCN(OC(=O)OC(C)C)CC2)ccnc1Nc1cnc(CCOC(C)C)cc1F
InChIInChI=1S/C25H35FN4O5/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)35-25(31)33-17(3)4/h6,10,14-17,20H,7-9,11-13H2,1-5H3,(H,27,29)
InChIKeyFCBPELIFRLKZOO-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.96
Rot. Bonds10

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

[4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate (PubChem CID 68534432) has the molecular formula C25H35FN4O5 and a molecular weight of 490.58 g/mol. Its IUPAC name is [4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
PubChem CID68534432
Molecular FormulaC25H35FN4O5
Molecular Weight490.58 g/mol
Exact Mass490.26
IUPAC Name[4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
SMILESCc1c(OC2CCN(OC(=O)OC(C)C)CC2)ccnc1Nc1cnc(CCOC(C)C)cc1F
InChIInChI=1S/C25H35FN4O5/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)35-25(31)33-17(3)4/h6,10,14-17,20H,7-9,11-13H2,1-5H3,(H,27,29)
InChIKeyFCBPELIFRLKZOO-UHFFFAOYSA-N
XLogP4.96
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
The IUPAC name of [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) is [4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate.
What is the SMILES notation for [4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
The canonical SMILES for [4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate is Cc1c(OC2CCN(OC(=O)OC(C)C)CC2)ccnc1Nc1cnc(CCOC(C)C)cc1F.
What is the InChIKey of [4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
The InChIKey is FCBPELIFRLKZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN4O5/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)35-25(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 [4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
[4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate has a molecular weight of 490.58 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate is sourced from PubChem (CID 68534432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).