furan-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid

C18H18F3N5O4 — CID 155971462

IUPACfuran-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccco1)N1CCN(Cc2cnn3cccnc23)CC1
InChIInChI=1S/C16H17N5O2.C2HF3O2/c22-16(14-3-1-10-23-14)20-8-6-19(7-9-20)12-13-11-18-21-5-2-4-17-15(13)21;3-2(4,5)1(6)7/h1-5,10-11H,6-9,12H2;(H,6,7)
InChIKeyXHQGWFFFTUPFRN-UHFFFAOYSA-N
MW425.37 g/mol
LogP1.91
Rot. Bonds3

About furan-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid

furan-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155971462) has the molecular formula C18H18F3N5O4 and a molecular weight of 425.37 g/mol. Its IUPAC name is furan-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namefuran-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155971462
Molecular FormulaC18H18F3N5O4
Molecular Weight425.37 g/mol
Exact Mass425.13
IUPAC Namefuran-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccco1)N1CCN(Cc2cnn3cccnc23)CC1
InChIInChI=1S/C16H17N5O2.C2HF3O2/c22-16(14-3-1-10-23-14)20-8-6-19(7-9-20)12-13-11-18-21-5-2-4-17-15(13)21;3-2(4,5)1(6)7/h1-5,10-11H,6-9,12H2;(H,6,7)
InChIKeyXHQGWFFFTUPFRN-UHFFFAOYSA-N
XLogP1.91
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 131939511
furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155842296
(4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone
CID 91949327
furan-2-yl-[4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-yl]methanone
CID 3861557
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid
CID 53270741
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 19333939
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
furan-2-yl-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 171997967
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
furan-2-yl-[4-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone
CID 35523602
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37377664

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of furan-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid (CID 155971462) is furan-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for furan-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for furan-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1ccco1)N1CCN(Cc2cnn3cccnc23)CC1.
What is the InChIKey of furan-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is XHQGWFFFTUPFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2.C2HF3O2/c22-16(14-3-1-10-23-14)20-8-6-19(7-9-20)12-13-11-18-21-5-2-4-17-15(13)21;3-2(4,5)1(6)7/h1-5,10-11H,6-9,12H2;(H,6,7).
What are the key properties of furan-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid?
furan-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 425.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155971462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).