N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide

C25H33N5O5 — CID 53018081

About N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide

N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide (PubChem CID 53018081) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide.

Molecular Properties

• Compound Name: N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
• PubChem CID: 53018081
• Molecular Formula: C25H33N5O5
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.25
• IUPAC Name: N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
• SMILES: CCOc1ccc(CNC(=O)CCC(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3C)C2)cc1
• InChI: InChI=1S/C25H33N5O5/c1-3-35-19-6-4-18(5-7-19)16-26-22(31)8-9-23(32)30-11-10-21-20(17-30)24(27-28(21)2)25(33)29-12-14-34-15-13-29/h4-7H,3,8-17H2,1-2H3,(H,26,31)
• InChIKey: YUUDLDBXAIZUAU-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 106.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?

The IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide (CID 53018081) is N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide.

What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?

The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide is CCOc1ccc(CNC(=O)CCC(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3C)C2)cc1.

What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?

The InChIKey is YUUDLDBXAIZUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-3-35-19-6-4-18(5-7-19)16-26-22(31)8-9-23(32)30-11-10-21-20(17-30)24(27-28(21)2)25(33)29-12-14-34-15-13-29/h4-7H,3,8-17H2,1-2H3,(H,26,31).

What are the key properties of N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?

N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide has a molecular weight of 483.57 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide is sourced from PubChem (CID 53018081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).