4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid

C30H40N6O5 — CID 138731559

About 4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid

4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid (PubChem CID 138731559) has the molecular formula C30H40N6O5 and a molecular weight of 564.69 g/mol. Its IUPAC name is 4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
• PubChem CID: 138731559
• Molecular Formula: C30H40N6O5
• Molecular Weight: 564.69 g/mol
• Exact Mass: 564.31
• IUPAC Name: 4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
• SMILES: CCC1(n2nc(Nc3ccc(C(=O)N4CCOCC4CC(C)C)c(C)c3)c3c(=O)[nH]ccc32)CCN(C(=O)O)CC1
• InChI: InChI=1S/C30H40N6O5/c1-5-30(9-12-34(13-10-30)29(39)40)36-24-8-11-31-27(37)25(24)26(33-36)32-21-6-7-23(20(4)17-21)28(38)35-14-15-41-18-22(35)16-19(2)3/h6-8,11,17,19,22H,5,9-10,12-16,18H2,1-4H3,(H,31,37)(H,32,33)(H,39,40)
• InChIKey: ZUAIMGBVAGZAPK-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 132.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.69
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid?

The IUPAC name of 4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid (CID 138731559) is 4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid.

What is the SMILES notation for 4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid?

The canonical SMILES for 4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid is CCC1(n2nc(Nc3ccc(C(=O)N4CCOCC4CC(C)C)c(C)c3)c3c(=O)[nH]ccc32)CCN(C(=O)O)CC1.

What is the InChIKey of 4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid?

The InChIKey is ZUAIMGBVAGZAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O5/c1-5-30(9-12-34(13-10-30)29(39)40)36-24-8-11-31-27(37)25(24)26(33-36)32-21-6-7-23(20(4)17-21)28(38)35-14-15-41-18-22(35)16-19(2)3/h6-8,11,17,19,22H,5,9-10,12-16,18H2,1-4H3,(H,31,37)(H,32,33)(H,39,40).

What are the key properties of 4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid?

4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid has a molecular weight of 564.69 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 138731559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).