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

C26H36N4O3 — CID 45160609

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

[5-cyclohexyl-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 45160609) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is [5-cyclohexyl-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-cyclohexyl-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
• PubChem CID: 45160609
• Molecular Formula: C26H36N4O3
• Molecular Weight: 452.60 g/mol
• Exact Mass: 452.28
• IUPAC Name: [5-cyclohexyl-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(C2CCCCC2)C3)c1
• InChI: InChI=1S/C26H36N4O3/c1-33-22-11-5-7-19(15-22)16-30-24-12-14-28(20-8-3-2-4-9-20)18-23(24)25(27-30)26(32)29-13-6-10-21(31)17-29/h5,7,11,15,20-21,31H,2-4,6,8-10,12-14,16-18H2,1H3
• InChIKey: YVODNYDQVQEQLT-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 70.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.60
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-cyclohexyl-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-cyclohexyl-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone (CID 45160609) is [5-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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(C2CCCCC2)C3)c1.

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

The InChIKey is YVODNYDQVQEQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-33-22-11-5-7-19(15-22)16-30-24-12-14-28(20-8-3-2-4-9-20)18-23(24)25(27-30)26(32)29-13-6-10-21(31)17-29/h5,7,11,15,20-21,31H,2-4,6,8-10,12-14,16-18H2,1H3.

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

[5-cyclohexyl-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 452.60 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-cyclohexyl-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 45160609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).