(3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

C18H24N4O2 — CID 97405331

IUPAC(3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESCc1ccoc1C(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1
InChIInChI=1S/C18H24N4O2/c1-13-6-9-24-17(13)18(23)22-10-14-15(19-20(2)16(14)12-22)11-21-7-4-3-5-8-21/h6,9H,3-5,7-8,10-12H2,1-2H3
InChIKeyNJPDUSRSZZAKLA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.46
Rot. Bonds3

About (3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

(3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (PubChem CID 97405331) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
PubChem CID97405331
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESCc1ccoc1C(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1
InChIInChI=1S/C18H24N4O2/c1-13-6-9-24-17(13)18(23)22-10-14-15(19-20(2)16(14)12-22)11-21-7-4-3-5-8-21/h6,9H,3-5,7-8,10-12H2,1-2H3
InChIKeyNJPDUSRSZZAKLA-UHFFFAOYSA-N
XLogP2.46
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The IUPAC name of (3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (CID 97405331) is (3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The canonical SMILES for (3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is Cc1ccoc1C(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1.
What is the InChIKey of (3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The InChIKey is NJPDUSRSZZAKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-6-9-24-17(13)18(23)22-10-14-15(19-20(2)16(14)12-22)11-21-7-4-3-5-8-21/h6,9H,3-5,7-8,10-12H2,1-2H3.
What are the key properties of (3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
(3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 97405331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).