5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one

C23H23N5O3 — CID 50899556

IUPAC5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)c[nH]1
InChIInChI=1S/C23H23N5O3/c29-22-6-3-18(13-24-22)21-15-26-28-16-19(14-25-23(21)28)17-1-4-20(5-2-17)31-12-9-27-7-10-30-11-8-27/h1-6,13-16H,7-12H2,(H,24,29)
InChIKeyWMXDIPVFXWNELM-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.46
Rot. Bonds6

About 5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one

5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one (PubChem CID 50899556) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one
PubChem CID50899556
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)c[nH]1
InChIInChI=1S/C23H23N5O3/c29-22-6-3-18(13-24-22)21-15-26-28-16-19(14-25-23(21)28)17-1-4-20(5-2-17)31-12-9-27-7-10-30-11-8-27/h1-6,13-16H,7-12H2,(H,24,29)
InChIKeyWMXDIPVFXWNELM-UHFFFAOYSA-N
XLogP2.46
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one (CID 50899556) is 5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one is O=c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)c[nH]1.
What is the InChIKey of 5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one?
The InChIKey is WMXDIPVFXWNELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c29-22-6-3-18(13-24-22)21-15-26-28-16-19(14-25-23(21)28)17-1-4-20(5-2-17)31-12-9-27-7-10-30-11-8-27/h1-6,13-16H,7-12H2,(H,24,29).
What are the key properties of 5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one?
5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one has a molecular weight of 417.47 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 50899556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).