1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone

C20H22FN5O — CID 95727075

IUPAC1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](CNc2cc(-c3ccccc3F)nc3ccnn23)C1
InChIInChI=1S/C20H22FN5O/c1-14(27)25-10-4-5-15(13-25)12-22-20-11-18(16-6-2-3-7-17(16)21)24-19-8-9-23-26(19)20/h2-3,6-9,11,15,22H,4-5,10,12-13H2,1H3/t15-/m0/s1
InChIKeyKZJFDEWHZVFMDC-HNNXBMFYSA-N
MW367.43 g/mol
LogP3.21
Rot. Bonds4

About 1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone

1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone (PubChem CID 95727075) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone
PubChem CID95727075
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](CNc2cc(-c3ccccc3F)nc3ccnn23)C1
InChIInChI=1S/C20H22FN5O/c1-14(27)25-10-4-5-15(13-25)12-22-20-11-18(16-6-2-3-7-17(16)21)24-19-8-9-23-26(19)20/h2-3,6-9,11,15,22H,4-5,10,12-13H2,1H3/t15-/m0/s1
InChIKeyKZJFDEWHZVFMDC-HNNXBMFYSA-N
XLogP3.21
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56909518
N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890807
N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 95895615
CID 136594029
CID 136594029
3-[[[3-bromo-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(3,5-difluorophenyl)piperidine-1-carboxamide
CID 142870675
5-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56889061
3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-[(2-chlorophenyl)methyl]piperidine-1-carboxamide
CID 21065996
1-[3-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 143090578
[3-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 143442073
3-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-[(2-chlorophenyl)methyl]piperidine-1-carboxamide
CID 143440863
1-[3-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]-2-phenylpropan-1-one;ethane
CID 142871505
5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 154893939

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone (CID 95727075) is 1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](CNc2cc(-c3ccccc3F)nc3ccnn23)C1.
What is the InChIKey of 1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone?
The InChIKey is KZJFDEWHZVFMDC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-14(27)25-10-4-5-15(13-25)12-22-20-11-18(16-6-2-3-7-17(16)21)24-19-8-9-23-26(19)20/h2-3,6-9,11,15,22H,4-5,10,12-13H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone has a molecular weight of 367.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95727075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).