N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide

C26H23N5O2 — CID 91892847

About N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide

N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide (PubChem CID 91892847) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide
• PubChem CID: 91892847
• Molecular Formula: C26H23N5O2
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.19
• IUPAC Name: N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide
• SMILES: Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5ccccc5n4)ccn3n2)cc1C
• InChI: InChI=1S/C26H23N5O2/c1-17-7-8-20(15-18(17)2)23-16-24-26(33)30(13-14-31(24)29-23)12-11-27-25(32)22-10-9-19-5-3-4-6-21(19)28-22/h3-10,13-16H,11-12H2,1-2H3,(H,27,32)
• InChIKey: UAMZSHDEGYOBNE-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide?

The IUPAC name of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide (CID 91892847) is N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide.

What is the SMILES notation for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide?

The canonical SMILES for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide is Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5ccccc5n4)ccn3n2)cc1C.

What is the InChIKey of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide?

The InChIKey is UAMZSHDEGYOBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-17-7-8-20(15-18(17)2)23-16-24-26(33)30(13-14-31(24)29-23)12-11-27-25(32)22-10-9-19-5-3-4-6-21(19)28-22/h3-10,13-16H,11-12H2,1-2H3,(H,27,32).

What are the key properties of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide?

N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 91892847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).