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

C20H24N4O — CID 128883392

IUPAC2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc2c1CCC2)N1CCC(n2ncc3c2CNC3)CC1
InChIInChI=1S/C20H24N4O/c25-20(18-6-2-4-14-3-1-5-17(14)18)23-9-7-16(8-10-23)24-19-13-21-11-15(19)12-22-24/h2,4,6,12,16,21H,1,3,5,7-11,13H2
InChIKeyAPZBYCNHGUUWIG-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.45
Rot. Bonds2

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

2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 128883392) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID128883392
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc2c1CCC2)N1CCC(n2ncc3c2CNC3)CC1
InChIInChI=1S/C20H24N4O/c25-20(18-6-2-4-14-3-1-5-17(14)18)23-9-7-16(8-10-23)24-19-13-21-11-15(19)12-22-24/h2,4,6,12,16,21H,1,3,5,7-11,13H2
InChIKeyAPZBYCNHGUUWIG-UHFFFAOYSA-N
XLogP2.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone (CID 128883392) is 2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone is O=C(c1cccc2c1CCC2)N1CCC(n2ncc3c2CNC3)CC1.
What is the InChIKey of 2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is APZBYCNHGUUWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(18-6-2-4-14-3-1-5-17(14)18)23-9-7-16(8-10-23)24-19-13-21-11-15(19)12-22-24/h2,4,6,12,16,21H,1,3,5,7-11,13H2.
What are the key properties of 2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone?
2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 128883392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).