2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol

C26H30F2N4O2 — CID 44608528

IUPAC2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol
SMILESCCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C(C)(C)O)nc4)cc3F)CC2)nc1
InChIInChI=1S/C26H30F2N4O2/c1-4-17-13-30-25(31-14-17)32-9-7-18(8-10-32)16-34-24-21(27)11-20(12-22(24)28)19-5-6-23(29-15-19)26(2,3)33/h5-6,11-15,18,33H,4,7-10,16H2,1-3H3
InChIKeyZKTGLABYRRNQTC-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.90
Rot. Bonds7

About 2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol

2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol (PubChem CID 44608528) has the molecular formula C26H30F2N4O2 and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol
PubChem CID44608528
Molecular FormulaC26H30F2N4O2
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol
SMILESCCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C(C)(C)O)nc4)cc3F)CC2)nc1
InChIInChI=1S/C26H30F2N4O2/c1-4-17-13-30-25(31-14-17)32-9-7-18(8-10-32)16-34-24-21(27)11-20(12-22(24)28)19-5-6-23(29-15-19)26(2,3)33/h5-6,11-15,18,33H,4,7-10,16H2,1-3H3
InChIKeyZKTGLABYRRNQTC-UHFFFAOYSA-N
XLogP4.90
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol (CID 44608528) is 2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol is CCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C(C)(C)O)nc4)cc3F)CC2)nc1.
What is the InChIKey of 2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol?
The InChIKey is ZKTGLABYRRNQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4O2/c1-4-17-13-30-25(31-14-17)32-9-7-18(8-10-32)16-34-24-21(27)11-20(12-22(24)28)19-5-6-23(29-15-19)26(2,3)33/h5-6,11-15,18,33H,4,7-10,16H2,1-3H3.
What are the key properties of 2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol?
2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol has a molecular weight of 468.55 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 44608528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).