3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H19N5O2 — CID 146084317

IUPAC3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(c1c[nH]n2c(=O)ccnc12)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C18H19N5O2/c24-16-8-9-19-17-15(11-20-23(16)17)18(25)22-10-4-7-14(12-22)21-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20-21H,4,7,10,12H2
InChIKeyLPKOLRXCUQKWMM-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.74
Rot. Bonds3

About 3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 146084317) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID146084317
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(c1c[nH]n2c(=O)ccnc12)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C18H19N5O2/c24-16-8-9-19-17-15(11-20-23(16)17)18(25)22-10-4-7-14(12-22)21-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20-21H,4,7,10,12H2
InChIKeyLPKOLRXCUQKWMM-UHFFFAOYSA-N
XLogP1.74
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3S)-3-anilinopiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 96543274
(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 45192484
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 97082738
[(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone
CID 42100234
[(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 95717428
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
[(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone
CID 97260124
[(3S)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292828
[(3R)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292827
[(3S)-3-anilinopiperidin-1-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 25275368
1-(3-anilinopiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 75384358

Frequently Asked Questions

What is the IUPAC name of 3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 146084317) is 3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=C(c1c[nH]n2c(=O)ccnc12)N1CCCC(Nc2ccccc2)C1.
What is the InChIKey of 3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LPKOLRXCUQKWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-16-8-9-19-17-15(11-20-23(16)17)18(25)22-10-4-7-14(12-22)21-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20-21H,4,7,10,12H2.
What are the key properties of 3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 337.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 146084317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).