1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone

C24H23N5O2 — CID 24994202

IUPAC1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)c1
InChIInChI=1S/C24H23N5O2/c1-17(30)18-3-2-4-19(15-18)22-16-25-29-10-9-23(27-24(22)29)26-20-5-7-21(8-6-20)28-11-13-31-14-12-28/h2-10,15-16H,11-14H2,1H3,(H,26,27)
InChIKeyXZINARAMCYHJRY-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.18
Rot. Bonds5

About 1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone

1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone (PubChem CID 24994202) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone
PubChem CID24994202
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)c1
InChIInChI=1S/C24H23N5O2/c1-17(30)18-3-2-4-19(15-18)22-16-25-29-10-9-23(27-24(22)29)26-20-5-7-21(8-6-20)28-11-13-31-14-12-28/h2-10,15-16H,11-14H2,1H3,(H,26,27)
InChIKeyXZINARAMCYHJRY-UHFFFAOYSA-N
XLogP4.18
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone (CID 24994202) is 1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)c1.
What is the InChIKey of 1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone?
The InChIKey is XZINARAMCYHJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-17(30)18-3-2-4-19(15-18)22-16-25-29-10-9-23(27-24(22)29)26-20-5-7-21(8-6-20)28-11-13-31-14-12-28/h2-10,15-16H,11-14H2,1H3,(H,26,27).
What are the key properties of 1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone?
1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone has a molecular weight of 413.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone is sourced from PubChem (CID 24994202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).