5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one

C22H22N4O — CID 69368125

IUPAC5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3cn(C4CCNCC4)nc3-c3ccncc3)ccc21
InChIInChI=1S/C22H22N4O/c27-21-4-2-16-13-17(1-3-19(16)21)20-14-26(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,24H,2,4,7-8,11-12H2
InChIKeyAVVNLJBNYBBSEV-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.67
Rot. Bonds3

About 5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one

5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one (PubChem CID 69368125) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one
PubChem CID69368125
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3cn(C4CCNCC4)nc3-c3ccncc3)ccc21
InChIInChI=1S/C22H22N4O/c27-21-4-2-16-13-17(1-3-19(16)21)20-14-26(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,24H,2,4,7-8,11-12H2
InChIKeyAVVNLJBNYBBSEV-UHFFFAOYSA-N
XLogP3.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one (CID 69368125) is 5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one is O=C1CCc2cc(-c3cn(C4CCNCC4)nc3-c3ccncc3)ccc21.
What is the InChIKey of 5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one?
The InChIKey is AVVNLJBNYBBSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-21-4-2-16-13-17(1-3-19(16)21)20-14-26(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,24H,2,4,7-8,11-12H2.
What are the key properties of 5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one?
5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one has a molecular weight of 358.45 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 69368125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).