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

C26H29F3N4O4 — CID 155115863

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

(3S)-2'-(2-cyclopropylethyl)-4'-oxo-N-(oxolan-3-yl)-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide (PubChem CID 155115863) has the molecular formula C26H29F3N4O4 and a molecular weight of 518.54 g/mol. Its IUPAC name is (3S)-2'-(2-cyclopropylethyl)-4'-oxo-N-(oxolan-3-yl)-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide.

Molecular Properties

• Compound Name: (3S)-2'-(2-cyclopropylethyl)-4'-oxo-N-(oxolan-3-yl)-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
• PubChem CID: 155115863
• Molecular Formula: C26H29F3N4O4
• Molecular Weight: 518.54 g/mol
• Exact Mass: 518.21
• IUPAC Name: (3S)-2'-(2-cyclopropylethyl)-4'-oxo-N-(oxolan-3-yl)-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
• SMILES: O=C1N[C@@]2(CCc3cc(OCC(F)(F)F)ccc32)Cc2nn(CCC3CC3)c(C(=O)NC3CCOC3)c21
• InChI: InChI=1S/C26H29F3N4O4/c27-26(28,29)14-37-18-3-4-19-16(11-18)5-8-25(19)12-20-21(23(34)31-25)22(24(35)30-17-7-10-36-13-17)33(32-20)9-6-15-1-2-15/h3-4,11,15,17H,1-2,5-10,12-14H2,(H,30,35)(H,31,34)/t17?,25-/m0/s1
• InChIKey: ZBDYPLIMTQFIJN-HHPDBAQJSA-N
• XLogP: 3.27
• TPSA: 94.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.54
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3S)-2'-(2-cyclopropylethyl)-4'-oxo-N-(oxolan-3-yl)-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide (CID 155115863) is (3S)-2'-(2-cyclopropylethyl)-4'-oxo-N-(oxolan-3-yl)-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide.

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

The canonical SMILES for (3S)-2'-(2-cyclopropylethyl)-4'-oxo-N-(oxolan-3-yl)-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide is O=C1N[C@@]2(CCc3cc(OCC(F)(F)F)ccc32)Cc2nn(CCC3CC3)c(C(=O)NC3CCOC3)c21.

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

The InChIKey is ZBDYPLIMTQFIJN-HHPDBAQJSA-N. The full InChI is InChI=1S/C26H29F3N4O4/c27-26(28,29)14-37-18-3-4-19-16(11-18)5-8-25(19)12-20-21(23(34)31-25)22(24(35)30-17-7-10-36-13-17)33(32-20)9-6-15-1-2-15/h3-4,11,15,17H,1-2,5-10,12-14H2,(H,30,35)(H,31,34)/t17?,25-/m0/s1.

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

(3S)-2'-(2-cyclopropylethyl)-4'-oxo-N-(oxolan-3-yl)-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide has a molecular weight of 518.54 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-2'-(2-cyclopropylethyl)-4'-oxo-N-(oxolan-3-yl)-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide is sourced from PubChem (CID 155115863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).