6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H19FN4O2 — CID 70772515

IUPAC6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCCCC3c3ccc(F)cc3)c(=O)n2[nH]1
InChIInChI=1S/C19H19FN4O2/c1-12-10-17-21-11-15(19(26)24(17)22-12)18(25)23-9-3-2-4-16(23)13-5-7-14(20)8-6-13/h5-8,10-11,16,22H,2-4,9H2,1H3
InChIKeyRFICHUIANRJEGI-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.84
Rot. Bonds2

About 6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70772515) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70772515
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCCCC3c3ccc(F)cc3)c(=O)n2[nH]1
InChIInChI=1S/C19H19FN4O2/c1-12-10-17-21-11-15(19(26)24(17)22-12)18(25)23-9-3-2-4-16(23)13-5-7-14(20)8-6-13/h5-8,10-11,16,22H,2-4,9H2,1H3
InChIKeyRFICHUIANRJEGI-UHFFFAOYSA-N
XLogP2.84
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98350659
2-methyl-6-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98268255
2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98277148
2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 157012573
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride
CID 120637115
[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 70744880
[2-(4-fluorophenyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70732659
[2-(4-fluorophenyl)piperidin-1-yl]-(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 131911013
6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155508906
3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one
CID 172670453
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70770940
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70772515) is 6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2ncc(C(=O)N3CCCCC3c3ccc(F)cc3)c(=O)n2[nH]1.
What is the InChIKey of 6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RFICHUIANRJEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-12-10-17-21-11-15(19(26)24(17)22-12)18(25)23-9-3-2-4-16(23)13-5-7-14(20)8-6-13/h5-8,10-11,16,22H,2-4,9H2,1H3.
What are the key properties of 6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 354.39 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70772515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).