N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide

C24H33N7O2 — CID 50781682

About N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 50781682) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
• PubChem CID: 50781682
• Molecular Formula: C24H33N7O2
• Molecular Weight: 451.58 g/mol
• Exact Mass: 451.27
• IUPAC Name: N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
• SMILES: CCn1nc(C)c(CCNC(=O)C2CCCN(c3nc4cccnc4n(CC)c3=O)C2)c1C
• InChI: InChI=1S/C24H33N7O2/c1-5-30-21-20(10-7-12-25-21)27-22(24(30)33)29-14-8-9-18(15-29)23(32)26-13-11-19-16(3)28-31(6-2)17(19)4/h7,10,12,18H,5-6,8-9,11,13-15H2,1-4H3,(H,26,32)
• InChIKey: AJTJKPYTOWKHJY-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 97.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.58
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?

The IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide (CID 50781682) is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?

The canonical SMILES for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide is CCn1nc(C)c(CCNC(=O)C2CCCN(c3nc4cccnc4n(CC)c3=O)C2)c1C.

What is the InChIKey of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?

The InChIKey is AJTJKPYTOWKHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2/c1-5-30-21-20(10-7-12-25-21)27-22(24(30)33)29-14-8-9-18(15-29)23(32)26-13-11-19-16(3)28-31(6-2)17(19)4/h7,10,12,18H,5-6,8-9,11,13-15H2,1-4H3,(H,26,32).

What are the key properties of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 451.58 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50781682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).