N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C24H28N4O3 — CID 26145613

About N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26145613) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26145613
• Molecular Formula: C24H28N4O3
• Molecular Weight: 420.51 g/mol
• Exact Mass: 420.22
• IUPAC Name: N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(Cc1cccc(O)c1)CC2
• InChI: InChI=1S/C24H28N4O3/c1-3-25-24(30)23-21-16-27(14-17-6-4-8-19(29)12-17)11-10-22(21)28(26-23)15-18-7-5-9-20(13-18)31-2/h4-9,12-13,29H,3,10-11,14-16H2,1-2H3,(H,25,30)
• InChIKey: DXBKTPLWHNWHRK-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 79.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.51
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26145613) is N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(Cc1cccc(O)c1)CC2.

What is the InChIKey of N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is DXBKTPLWHNWHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-25-24(30)23-21-16-27(14-17-6-4-8-19(29)12-17)11-10-22(21)28(26-23)15-18-7-5-9-20(13-18)31-2/h4-9,12-13,29H,3,10-11,14-16H2,1-2H3,(H,25,30).

What are the key properties of N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26145613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).