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

C16H14FN5O2 — CID 160927605

IUPAC3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one
SMILESCC(=O)c1cnn2ccc(NC3(c4cc(F)c[nH]c4=O)CC3)nc12
InChIInChI=1S/C16H14FN5O2/c1-9(23)11-8-19-22-5-2-13(20-14(11)22)21-16(3-4-16)12-6-10(17)7-18-15(12)24/h2,5-8H,3-4H2,1H3,(H,18,24)(H,20,21)
InChIKeySSVRVNOODJLWGL-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.86
Rot. Bonds4

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

3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one (PubChem CID 160927605) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one
PubChem CID160927605
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one
SMILESCC(=O)c1cnn2ccc(NC3(c4cc(F)c[nH]c4=O)CC3)nc12
InChIInChI=1S/C16H14FN5O2/c1-9(23)11-8-19-22-5-2-13(20-14(11)22)21-16(3-4-16)12-6-10(17)7-18-15(12)24/h2,5-8H,3-4H2,1H3,(H,18,24)(H,20,21)
InChIKeySSVRVNOODJLWGL-UHFFFAOYSA-N
XLogP1.86
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one with MolForge

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Related Compounds

(R)-N-(3-aminopropyl)-5-(2-(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66853767
N-(cyclopropylmethyl)-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500627
5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500728
5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501071
(R)-N-tert-butyl-5-(2-(5-fluoro-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501347
N-cyclopropyl-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501368
N-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501808
N-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501830
(R)-N-tert-butyl-5-(2-(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67502358
N-cyclobutyl-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67502639
5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67502828
(6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,18(25),19,22-hexaene-17,26-dione
CID 70169911

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one (CID 160927605) is 3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one is CC(=O)c1cnn2ccc(NC3(c4cc(F)c[nH]c4=O)CC3)nc12.
What is the InChIKey of 3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one?
The InChIKey is SSVRVNOODJLWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-9(23)11-8-19-22-5-2-13(20-14(11)22)21-16(3-4-16)12-6-10(17)7-18-15(12)24/h2,5-8H,3-4H2,1H3,(H,18,24)(H,20,21).
What are the key properties of 3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one?
3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one has a molecular weight of 327.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 160927605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).