[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone

C18H22N4O3 — CID 154841987

IUPAC[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)c(O)c1
InChIInChI=1S/C18H22N4O3/c1-25-14-2-3-15(17(23)8-14)18(24)21-6-4-13(5-7-21)22-16-11-19-9-12(16)10-20-22/h2-3,8,10,13,19,23H,4-7,9,11H2,1H3
InChIKeyZMRSAAGRKUVDJC-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.68
Rot. Bonds3

About [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone

[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone (PubChem CID 154841987) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
PubChem CID154841987
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)c(O)c1
InChIInChI=1S/C18H22N4O3/c1-25-14-2-3-15(17(23)8-14)18(24)21-6-4-13(5-7-21)22-16-11-19-9-12(16)10-20-22/h2-3,8,10,13,19,23H,4-7,9,11H2,1H3
InChIKeyZMRSAAGRKUVDJC-UHFFFAOYSA-N
XLogP1.68
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone?
The IUPAC name of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone (CID 154841987) is [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone?
The canonical SMILES for [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)c(O)c1.
What is the InChIKey of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone?
The InChIKey is ZMRSAAGRKUVDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-14-2-3-15(17(23)8-14)18(24)21-6-4-13(5-7-21)22-16-11-19-9-12(16)10-20-22/h2-3,8,10,13,19,23H,4-7,9,11H2,1H3.
What are the key properties of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone?
[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone has a molecular weight of 342.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone is sourced from PubChem (CID 154841987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).