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

C26H26F3N5O4 — CID 155115611

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

N-[[(3S)-2'-(2-cyclopropylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 155115611) has the molecular formula C26H26F3N5O4 and a molecular weight of 529.52 g/mol. Its IUPAC name is N-[[(3S)-2'-(2-cyclopropylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[(3S)-2'-(2-cyclopropylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]methyl]-1,3-oxazole-5-carboxamide
• PubChem CID: 155115611
• Molecular Formula: C26H26F3N5O4
• Molecular Weight: 529.52 g/mol
• Exact Mass: 529.19
• IUPAC Name: N-[[(3S)-2'-(2-cyclopropylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]methyl]-1,3-oxazole-5-carboxamide
• SMILES: O=C(NCc1c2c(nn1CCC1CC1)C[C@]1(CCc3cc(OCC(F)(F)F)ccc31)NC2=O)c1cnco1
• InChI: InChI=1S/C26H26F3N5O4/c27-26(28,29)13-37-17-3-4-18-16(9-17)5-7-25(18)10-19-22(24(36)32-25)20(34(33-19)8-6-15-1-2-15)11-31-23(35)21-12-30-14-38-21/h3-4,9,12,14-15H,1-2,5-8,10-11,13H2,(H,31,35)(H,32,36)/t25-/m0/s1
• InChIKey: SDKKBOVDHPOUJL-VWLOTQADSA-N
• XLogP: 3.67
• TPSA: 111.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.52
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[(3S)-2'-(2-cyclopropylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]methyl]-1,3-oxazole-5-carboxamide (CID 155115611) is N-[[(3S)-2'-(2-cyclopropylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]methyl]-1,3-oxazole-5-carboxamide.

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

The canonical SMILES for N-[[(3S)-2'-(2-cyclopropylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]methyl]-1,3-oxazole-5-carboxamide is O=C(NCc1c2c(nn1CCC1CC1)C[C@]1(CCc3cc(OCC(F)(F)F)ccc31)NC2=O)c1cnco1.

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

The InChIKey is SDKKBOVDHPOUJL-VWLOTQADSA-N. The full InChI is InChI=1S/C26H26F3N5O4/c27-26(28,29)13-37-17-3-4-18-16(9-17)5-7-25(18)10-19-22(24(36)32-25)20(34(33-19)8-6-15-1-2-15)11-31-23(35)21-12-30-14-38-21/h3-4,9,12,14-15H,1-2,5-8,10-11,13H2,(H,31,35)(H,32,36)/t25-/m0/s1.

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

N-[[(3S)-2'-(2-cyclopropylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 529.52 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3S)-2'-(2-cyclopropylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 155115611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).