(2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C16H18N6O2 — CID 31123711

IUPAC(2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1occc1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C16H18N6O2/c1-11-12(3-8-24-11)16(23)22-6-4-21(5-7-22)15-13-9-19-20(2)14(13)17-10-18-15/h3,8-10H,4-7H2,1-2H3
InChIKeyWNSGGIZRZYSEPC-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.23
Rot. Bonds2

About (2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

(2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 31123711) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID31123711
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1occc1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C16H18N6O2/c1-11-12(3-8-24-11)16(23)22-6-4-21(5-7-22)15-13-9-19-20(2)14(13)17-10-18-15/h3,8-10H,4-7H2,1-2H3
InChIKeyWNSGGIZRZYSEPC-UHFFFAOYSA-N
XLogP1.23
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 29327180
(3-methyl-2-nitrophenyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 16962649
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 17489095
(3,5-dimethoxy-4-methylphenyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 31123227
(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 119840120
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 16589606
[4-(1,3-dithian-2-yl)phenyl]-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 16589683
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 31123660
(1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 119840114
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-piperidin-1-ylethanone
CID 32712917
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 16617347
2-(4-chlorophenyl)-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 16589637

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 31123711) is (2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is Cc1occc1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1.
What is the InChIKey of (2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is WNSGGIZRZYSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11-12(3-8-24-11)16(23)22-6-4-21(5-7-22)15-13-9-19-20(2)14(13)17-10-18-15/h3,8-10H,4-7H2,1-2H3.
What are the key properties of (2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 326.36 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 31123711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).