N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide

C26H21F3N6O4 — CID 164755234

About N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide

N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide (PubChem CID 164755234) has the molecular formula C26H21F3N6O4 and a molecular weight of 538.49 g/mol. Its IUPAC name is N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 164755234
• Molecular Formula: C26H21F3N6O4
• Molecular Weight: 538.49 g/mol
• Exact Mass: 538.16
• IUPAC Name: N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide
• SMILES: Cc1ccc(-c2nn3c(c2NC(=O)c2ccno2)C(=O)N[C@]2(CCc4cc(OCC(F)(F)F)ccc42)C3)nc1
• InChI: InChI=1S/C26H21F3N6O4/c1-14-2-5-18(30-11-14)20-21(32-23(36)19-7-9-31-39-19)22-24(37)33-25(12-35(22)34-20)8-6-15-10-16(3-4-17(15)25)38-13-26(27,28)29/h2-5,7,9-11H,6,8,12-13H2,1H3,(H,32,36)(H,33,37)/t25-/m1/s1
• InChIKey: JEAPODWTKVQRFB-RUZDIDTESA-N
• XLogP: 4.02
• TPSA: 124.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.49
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide (CID 164755234) is N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide is Cc1ccc(-c2nn3c(c2NC(=O)c2ccno2)C(=O)N[C@]2(CCc4cc(OCC(F)(F)F)ccc42)C3)nc1.

What is the InChIKey of N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide?

The InChIKey is JEAPODWTKVQRFB-RUZDIDTESA-N. The full InChI is InChI=1S/C26H21F3N6O4/c1-14-2-5-18(30-11-14)20-21(32-23(36)19-7-9-31-39-19)22-24(37)33-25(12-35(22)34-20)8-6-15-10-16(3-4-17(15)25)38-13-26(27,28)29/h2-5,7,9-11H,6,8,12-13H2,1H3,(H,32,36)(H,33,37)/t25-/m1/s1.

What are the key properties of N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide?

N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 538.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 164755234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).