1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one

C26H30FN5O3 — CID 147619354

IUPAC1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one
SMILESCCC(=O)c1cc(CCc2cnc(Nc3ccc(CN4CCOCC4)nc3)nc2)c(F)c(OC)c1
InChIInChI=1S/C26H30FN5O3/c1-3-23(33)20-12-19(25(27)24(13-20)34-2)5-4-18-14-29-26(30-15-18)31-21-6-7-22(28-16-21)17-32-8-10-35-11-9-32/h6-7,12-16H,3-5,8-11,17H2,1-2H3,(H,29,30,31)
InChIKeyGDOFNKFOCZPXRG-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.97
Rot. Bonds10

About 1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one

1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one (PubChem CID 147619354) has the molecular formula C26H30FN5O3 and a molecular weight of 479.56 g/mol. Its IUPAC name is 1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one
PubChem CID147619354
Molecular FormulaC26H30FN5O3
Molecular Weight479.56 g/mol
Exact Mass479.23
IUPAC Name1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one
SMILESCCC(=O)c1cc(CCc2cnc(Nc3ccc(CN4CCOCC4)nc3)nc2)c(F)c(OC)c1
InChIInChI=1S/C26H30FN5O3/c1-3-23(33)20-12-19(25(27)24(13-20)34-2)5-4-18-14-29-26(30-15-18)31-21-6-7-22(28-16-21)17-32-8-10-35-11-9-32/h6-7,12-16H,3-5,8-11,17H2,1-2H3,(H,29,30,31)
InChIKeyGDOFNKFOCZPXRG-UHFFFAOYSA-N
XLogP3.97
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one?
The IUPAC name of 1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one (CID 147619354) is 1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one is CCC(=O)c1cc(CCc2cnc(Nc3ccc(CN4CCOCC4)nc3)nc2)c(F)c(OC)c1.
What is the InChIKey of 1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one?
The InChIKey is GDOFNKFOCZPXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3/c1-3-23(33)20-12-19(25(27)24(13-20)34-2)5-4-18-14-29-26(30-15-18)31-21-6-7-22(28-16-21)17-32-8-10-35-11-9-32/h6-7,12-16H,3-5,8-11,17H2,1-2H3,(H,29,30,31).
What are the key properties of 1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one?
1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one has a molecular weight of 479.56 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-methoxy-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one is sourced from PubChem (CID 147619354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).