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

C27H38N4O3 — CID 45161972

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

[5-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 45161972) has the molecular formula C27H38N4O3 and a molecular weight of 466.63 g/mol. Its IUPAC name is [5-cycloheptyl-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-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
• PubChem CID: 45161972
• Molecular Formula: C27H38N4O3
• Molecular Weight: 466.63 g/mol
• Exact Mass: 466.29
• IUPAC Name: [5-cycloheptyl-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(C2CCCCCC2)C3)c1
• InChI: InChI=1S/C27H38N4O3/c1-34-23-12-6-8-20(16-23)17-31-25-13-15-29(21-9-4-2-3-5-10-21)19-24(25)26(28-31)27(33)30-14-7-11-22(32)18-30/h6,8,12,16,21-22,32H,2-5,7,9-11,13-15,17-19H2,1H3
• InChIKey: MHLAEZJRUHYMGZ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 70.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.63
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-cycloheptyl-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-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone (CID 45161972) is [5-cycloheptyl-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-cycloheptyl-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-cycloheptyl-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(C2CCCCCC2)C3)c1.

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

The InChIKey is MHLAEZJRUHYMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3/c1-34-23-12-6-8-20(16-23)17-31-25-13-15-29(21-9-4-2-3-5-10-21)19-24(25)26(28-31)27(33)30-14-7-11-22(32)18-30/h6,8,12,16,21-22,32H,2-5,7,9-11,13-15,17-19H2,1H3.

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

[5-cycloheptyl-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 466.63 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-cycloheptyl-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 45161972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).