[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone

C28H34N4O3 — CID 26133897

About [5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone

[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 26133897) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is [5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
• PubChem CID: 26133897
• Molecular Formula: C28H34N4O3
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.26
• IUPAC Name: [5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
• SMILES: O=C(c1nn(CCCc2ccccc2)c2c1CN(C/C=C/c1ccco1)CC2)N1CCC(O)CC1
• InChI: InChI=1S/C28H34N4O3/c33-23-12-18-31(19-13-23)28(34)27-25-21-30(15-5-10-24-11-6-20-35-24)17-14-26(25)32(29-27)16-4-9-22-7-2-1-3-8-22/h1-3,5-8,10-11,20,23,33H,4,9,12-19,21H2/b10-5+
• InChIKey: NRBVXNOIPMDJPH-BJMVGYQFSA-N
• XLogP: 3.78
• TPSA: 74.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone?

The IUPAC name of [5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 26133897) is [5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone.

What is the SMILES notation for [5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone?

The canonical SMILES for [5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone is O=C(c1nn(CCCc2ccccc2)c2c1CN(C/C=C/c1ccco1)CC2)N1CCC(O)CC1.

What is the InChIKey of [5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone?

The InChIKey is NRBVXNOIPMDJPH-BJMVGYQFSA-N. The full InChI is InChI=1S/C28H34N4O3/c33-23-12-18-31(19-13-23)28(34)27-25-21-30(15-5-10-24-11-6-20-35-24)17-14-26(25)32(29-27)16-4-9-22-7-2-1-3-8-22/h1-3,5-8,10-11,20,23,33H,4,9,12-19,21H2/b10-5+.

What are the key properties of [5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone?

[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 474.61 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 26133897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).