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

C28H34N4O3 — CID 45164379

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

(3-hydroxypiperidin-1-yl)-[1-[(3-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone (PubChem CID 45164379) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[1-[(3-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone.

Molecular Properties

• Compound Name: (3-hydroxypiperidin-1-yl)-[1-[(3-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
• PubChem CID: 45164379
• Molecular Formula: C28H34N4O3
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.26
• IUPAC Name: (3-hydroxypiperidin-1-yl)-[1-[(3-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
• SMILES: COc1cccc(Cn2nc(C(=O)N3CCCC(O)C3)c3c2CCN(Cc2cccc(C)c2)C3)c1
• InChI: InChI=1S/C28H34N4O3/c1-20-6-3-7-21(14-20)16-30-13-11-26-25(19-30)27(28(34)31-12-5-9-23(33)18-31)29-32(26)17-22-8-4-10-24(15-22)35-2/h3-4,6-8,10,14-15,23,33H,5,9,11-13,16-19H2,1-2H3
• InChIKey: KCUFRZWPBBGHJJ-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 70.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3-hydroxypiperidin-1-yl)-[1-[(3-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone (CID 45164379) is (3-hydroxypiperidin-1-yl)-[1-[(3-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone.

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

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

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

The InChIKey is KCUFRZWPBBGHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-20-6-3-7-21(14-20)16-30-13-11-26-25(19-30)27(28(34)31-12-5-9-23(33)18-31)29-32(26)17-22-8-4-10-24(15-22)35-2/h3-4,6-8,10,14-15,23,33H,5,9,11-13,16-19H2,1-2H3.

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

(3-hydroxypiperidin-1-yl)-[1-[(3-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone has a molecular weight of 474.61 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxypiperidin-1-yl)-[1-[(3-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone is sourced from PubChem (CID 45164379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).