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

C25H30N4O4 — CID 26214774

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

[5-(furan-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 26214774) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is [5-(furan-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(furan-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
• PubChem CID: 26214774
• Molecular Formula: C25H30N4O4
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.23
• IUPAC Name: [5-(furan-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
• SMILES: COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CCN(Cc2ccoc2)C3)c1
• InChI: InChI=1S/C25H30N4O4/c1-32-21-6-2-4-18(12-21)14-29-23-7-10-27(13-19-8-11-33-17-19)16-22(23)24(26-29)25(31)28-9-3-5-20(30)15-28/h2,4,6,8,11-12,17,20,30H,3,5,7,9-10,13-16H2,1H3/t20-/m1/s1
• InChIKey: PQKQSSSTJILPJD-HXUWFJFHSA-N
• XLogP: 2.69
• TPSA: 83.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [5-(furan-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone (CID 26214774) is [5-(furan-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone.

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

The canonical SMILES for [5-(furan-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone is COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CCN(Cc2ccoc2)C3)c1.

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

The InChIKey is PQKQSSSTJILPJD-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-32-21-6-2-4-18(12-21)14-29-23-7-10-27(13-19-8-11-33-17-19)16-22(23)24(26-29)25(31)28-9-3-5-20(30)15-28/h2,4,6,8,11-12,17,20,30H,3,5,7,9-10,13-16H2,1H3/t20-/m1/s1.

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

[5-(furan-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 450.54 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(furan-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 26214774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).