[5-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone

C27H31FN4O3 — CID 45159167

About [5-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone

[5-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 45159167) has the molecular formula C27H31FN4O3 and a molecular weight of 478.57 g/mol. Its IUPAC name is [5-[(2-fluorophenyl)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-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
• PubChem CID: 45159167
• Molecular Formula: C27H31FN4O3
• Molecular Weight: 478.57 g/mol
• Exact Mass: 478.24
• IUPAC Name: [5-[(2-fluorophenyl)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(Cc2ccccc2F)C3)c1
• InChI: InChI=1S/C27H31FN4O3/c1-35-22-9-4-6-19(14-22)15-32-25-11-13-30(16-20-7-2-3-10-24(20)28)18-23(25)26(29-32)27(34)31-12-5-8-21(33)17-31/h2-4,6-7,9-10,14,21,33H,5,8,11-13,15-18H2,1H3
• InChIKey: DXURURMQPQZIRE-UHFFFAOYSA-N
• XLogP: 3.23
• 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	478.57
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluorophenyl)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-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone (CID 45159167) is [5-[(2-fluorophenyl)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-[(2-fluorophenyl)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-[(2-fluorophenyl)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(Cc2ccccc2F)C3)c1.

What is the InChIKey of [5-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone?

The InChIKey is DXURURMQPQZIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O3/c1-35-22-9-4-6-19(14-22)15-32-25-11-13-30(16-20-7-2-3-10-24(20)28)18-23(25)26(29-32)27(34)31-12-5-8-21(33)17-31/h2-4,6-7,9-10,14,21,33H,5,8,11-13,15-18H2,1H3.

What are the key properties of [5-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone?

[5-[(2-fluorophenyl)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 478.57 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(2-fluorophenyl)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 45159167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).