furan-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone

C15H16N6O2 — CID 171358351

IUPACfuran-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCn1ncc2ncnc(N3CCN(C(=O)c4ccco4)CC3)c21
InChIInChI=1S/C15H16N6O2/c1-19-13-11(9-18-19)16-10-17-14(13)20-4-6-21(7-5-20)15(22)12-3-2-8-23-12/h2-3,8-10H,4-7H2,1H3
InChIKeyQFFMXYMUAZPAJV-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.92
Rot. Bonds2

About furan-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone (PubChem CID 171358351) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is furan-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
PubChem CID171358351
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Namefuran-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCn1ncc2ncnc(N3CCN(C(=O)c4ccco4)CC3)c21
InChIInChI=1S/C15H16N6O2/c1-19-13-11(9-18-19)16-10-17-14(13)20-4-6-21(7-5-20)15(22)12-3-2-8-23-12/h2-3,8-10H,4-7H2,1H3
InChIKeyQFFMXYMUAZPAJV-UHFFFAOYSA-N
XLogP0.92
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 35757404
furan-2-yl-[4-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]methanone
CID 53085403
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
furan-2-yl-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 1149179
furan-2-yl-[4-[5-nitro-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 3464839
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 137341507
[4-[6-(2-bromophenoxy)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3801431
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 24792297
furan-2-yl-[4-(2-methyl-5-nitro-1,2,4-triazol-3-yl)piperazin-1-yl]methanone
CID 3735386
N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide
CID 172898890

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone (CID 171358351) is furan-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone is Cn1ncc2ncnc(N3CCN(C(=O)c4ccco4)CC3)c21.
What is the InChIKey of furan-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone?
The InChIKey is QFFMXYMUAZPAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-19-13-11(9-18-19)16-10-17-14(13)20-4-6-21(7-5-20)15(22)12-3-2-8-23-12/h2-3,8-10H,4-7H2,1H3.
What are the key properties of furan-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone has a molecular weight of 312.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 171358351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).