5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one

C17H16FN5O2 — CID 139553886

IUPAC5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one
SMILESCCC(=O)c1cnn2ccc(NC3(c4cc(F)c[nH]c4=O)CC3)nc12
InChIInChI=1S/C17H16FN5O2/c1-2-13(24)11-9-20-23-6-3-14(21-15(11)23)22-17(4-5-17)12-7-10(18)8-19-16(12)25/h3,6-9H,2,4-5H2,1H3,(H,19,25)(H,21,22)
InChIKeyMKESDJUXWUCTFL-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.25
Rot. Bonds5

About 5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one

5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one (PubChem CID 139553886) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one
PubChem CID139553886
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one
SMILESCCC(=O)c1cnn2ccc(NC3(c4cc(F)c[nH]c4=O)CC3)nc12
InChIInChI=1S/C17H16FN5O2/c1-2-13(24)11-9-20-23-6-3-14(21-15(11)23)22-17(4-5-17)12-7-10(18)8-19-16(12)25/h3,6-9H,2,4-5H2,1H3,(H,19,25)(H,21,22)
InChIKeyMKESDJUXWUCTFL-UHFFFAOYSA-N
XLogP2.25
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one (CID 139553886) is 5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one is CCC(=O)c1cnn2ccc(NC3(c4cc(F)c[nH]c4=O)CC3)nc12.
What is the InChIKey of 5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one?
The InChIKey is MKESDJUXWUCTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-2-13(24)11-9-20-23-6-3-14(21-15(11)23)22-17(4-5-17)12-7-10(18)8-19-16(12)25/h3,6-9H,2,4-5H2,1H3,(H,19,25)(H,21,22).
What are the key properties of 5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one?
5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one has a molecular weight of 341.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 139553886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).