2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol

C26H26F2N6O — CID 163381258

IUPAC2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol
SMILESCC(C)(O)c1ccnc2c(F)cc(-c3nc(Nc4ccc(C5CCCNC5)cn4)ncc3F)cc12
InChIInChI=1S/C26H26F2N6O/c1-26(2,35)19-7-9-30-24-18(19)10-17(11-20(24)27)23-21(28)14-32-25(34-23)33-22-6-5-16(13-31-22)15-4-3-8-29-12-15/h5-7,9-11,13-15,29,35H,3-4,8,12H2,1-2H3,(H,31,32,33,34)
InChIKeyHPEUOICIBPELPA-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.80
Rot. Bonds5

About 2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol

2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol (PubChem CID 163381258) has the molecular formula C26H26F2N6O and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol
PubChem CID163381258
Molecular FormulaC26H26F2N6O
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol
SMILESCC(C)(O)c1ccnc2c(F)cc(-c3nc(Nc4ccc(C5CCCNC5)cn4)ncc3F)cc12
InChIInChI=1S/C26H26F2N6O/c1-26(2,35)19-7-9-30-24-18(19)10-17(11-20(24)27)23-21(28)14-32-25(34-23)33-22-6-5-16(13-31-22)15-4-3-8-29-12-15/h5-7,9-11,13-15,29,35H,3-4,8,12H2,1-2H3,(H,31,32,33,34)
InChIKeyHPEUOICIBPELPA-UHFFFAOYSA-N
XLogP4.80
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol?
The IUPAC name of 2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol (CID 163381258) is 2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol?
The canonical SMILES for 2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol is CC(C)(O)c1ccnc2c(F)cc(-c3nc(Nc4ccc(C5CCCNC5)cn4)ncc3F)cc12.
What is the InChIKey of 2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol?
The InChIKey is HPEUOICIBPELPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O/c1-26(2,35)19-7-9-30-24-18(19)10-17(11-20(24)27)23-21(28)14-32-25(34-23)33-22-6-5-16(13-31-22)15-4-3-8-29-12-15/h5-7,9-11,13-15,29,35H,3-4,8,12H2,1-2H3,(H,31,32,33,34).
What are the key properties of 2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol?
2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol has a molecular weight of 476.53 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-fluoro-6-[5-fluoro-2-[(5-piperidin-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]quinolin-4-yl]propan-2-ol is sourced from PubChem (CID 163381258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).