2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one

C16H23FN6O — CID 175348142

IUPAC2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCN(c2ccn3ncc(F)c3n2)CC1
InChIInChI=1S/C16H23FN6O/c1-11(2)9-13(18)16(24)22-7-5-21(6-8-22)14-3-4-23-15(20-14)12(17)10-19-23/h3-4,10-11,13H,5-9,18H2,1-2H3
InChIKeyCMCKYOLQJLDAMD-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.89
Rot. Bonds4

About 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one

2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one (PubChem CID 175348142) has the molecular formula C16H23FN6O and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one
PubChem CID175348142
Molecular FormulaC16H23FN6O
Molecular Weight334.40 g/mol
Exact Mass334.19
IUPAC Name2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCN(c2ccn3ncc(F)c3n2)CC1
InChIInChI=1S/C16H23FN6O/c1-11(2)9-13(18)16(24)22-7-5-21(6-8-22)14-3-4-23-15(20-14)12(17)10-19-23/h3-4,10-11,13H,5-9,18H2,1-2H3
InChIKeyCMCKYOLQJLDAMD-UHFFFAOYSA-N
XLogP0.89
TPSA79.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide
CID 86301351
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56891951
Cyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 56909416
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 72142769
1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134799114
N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide
CID 134796951
N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134797553
2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-{[1-(2-pyrimidinyl)-3-piperidinyl]methyl}acetamide
CID 45195839
1-(4-Pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one
CID 110874046
2-Methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one
CID 110874047
Cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
CID 110874048
2,2-Dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one
CID 110874053

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one (CID 175348142) is 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one is CC(C)CC(N)C(=O)N1CCN(c2ccn3ncc(F)c3n2)CC1.
What is the InChIKey of 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one?
The InChIKey is CMCKYOLQJLDAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6O/c1-11(2)9-13(18)16(24)22-7-5-21(6-8-22)14-3-4-23-15(20-14)12(17)10-19-23/h3-4,10-11,13H,5-9,18H2,1-2H3.
What are the key properties of 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one?
2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one has a molecular weight of 334.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 175348142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).