4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one

C27H35N5O4 — CID 45160636

About 4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one

4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 45160636) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is 4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one
• PubChem CID: 45160636
• Molecular Formula: C27H35N5O4
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.27
• IUPAC Name: 4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one
• SMILES: CC(C)N1CC(C(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3CCc3ccccc3)C2)CC1=O
• InChI: InChI=1S/C27H35N5O4/c1-19(2)31-17-21(16-24(31)33)26(34)30-10-9-23-22(18-30)25(27(35)29-12-14-36-15-13-29)28-32(23)11-8-20-6-4-3-5-7-20/h3-7,19,21H,8-18H2,1-2H3
• InChIKey: NUKRGTXAHXUMSC-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 87.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one?

The IUPAC name of 4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one (CID 45160636) is 4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one.

What is the SMILES notation for 4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one?

The canonical SMILES for 4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(C(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3CCc3ccccc3)C2)CC1=O.

What is the InChIKey of 4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one?

The InChIKey is NUKRGTXAHXUMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-19(2)31-17-21(16-24(31)33)26(34)30-10-9-23-22(18-30)25(27(35)29-12-14-36-15-13-29)28-32(23)11-8-20-6-4-3-5-7-20/h3-7,19,21H,8-18H2,1-2H3.

What are the key properties of 4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one?

4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 493.61 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 45160636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).