[5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone

C27H32N4O4 — CID 45165289

About [5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone

[5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 45165289) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is [5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
• PubChem CID: 45165289
• Molecular Formula: C27H32N4O4
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.24
• IUPAC Name: [5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
• SMILES: COc1cccc(Cn2nc(C(=O)N3CCCC(O)C3)c3c2CCN(Cc2cccc(O)c2)C3)c1
• InChI: InChI=1S/C27H32N4O4/c1-35-23-9-3-6-20(14-23)16-31-25-10-12-29(15-19-5-2-7-21(32)13-19)18-24(25)26(28-31)27(34)30-11-4-8-22(33)17-30/h2-3,5-7,9,13-14,22,32-33H,4,8,10-12,15-18H2,1H3
• InChIKey: MIWHOYFHCDFCGK-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 91.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone?

The IUPAC name of [5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone (CID 45165289) is [5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone.

What is the SMILES notation for [5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone?

The canonical SMILES for [5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone is COc1cccc(Cn2nc(C(=O)N3CCCC(O)C3)c3c2CCN(Cc2cccc(O)c2)C3)c1.

What is the InChIKey of [5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone?

The InChIKey is MIWHOYFHCDFCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-35-23-9-3-6-20(14-23)16-31-25-10-12-29(15-19-5-2-7-21(32)13-19)18-24(25)26(28-31)27(34)30-11-4-8-22(33)17-30/h2-3,5-7,9,13-14,22,32-33H,4,8,10-12,15-18H2,1H3.

What are the key properties of [5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone?

[5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 476.58 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 45165289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).