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]-4-methylthiadiazole-5-carboxamide

C25H25F3N6O3S — CID 155115395

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]-4-methylthiadiazole-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]-4-methylthiadiazole-5-carboxamide (PubChem CID 155115395) has the molecular formula C25H25F3N6O3S and a molecular weight of 546.58 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]-4-methylthiadiazole-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]-4-methylthiadiazole-5-carboxamide
• PubChem CID: 155115395
• Molecular Formula: C25H25F3N6O3S
• Molecular Weight: 546.58 g/mol
• Exact Mass: 546.17
• 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]-4-methylthiadiazole-5-carboxamide
• SMILES: Cc1nnsc1C(=O)Nc1c2c(nn1CCC1CC1)C[C@]1(CCc3cc(OCC(F)(F)F)ccc31)NC2=O
• InChI: InChI=1S/C25H25F3N6O3S/c1-13-20(38-33-31-13)23(36)29-21-19-18(32-34(21)9-7-14-2-3-14)11-24(30-22(19)35)8-6-15-10-16(4-5-17(15)24)37-12-25(26,27)28/h4-5,10,14H,2-3,6-9,11-12H2,1H3,(H,29,36)(H,30,35)/t24-/m0/s1
• InChIKey: MEZVNRQMMMBGQF-DEOSSOPVSA-N
• XLogP: 4.16
• TPSA: 111.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.58
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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]-4-methylthiadiazole-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]-4-methylthiadiazole-5-carboxamide (CID 155115395) 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]-4-methylthiadiazole-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]-4-methylthiadiazole-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]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1c2c(nn1CCC1CC1)C[C@]1(CCc3cc(OCC(F)(F)F)ccc31)NC2=O.

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]-4-methylthiadiazole-5-carboxamide?

The InChIKey is MEZVNRQMMMBGQF-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25F3N6O3S/c1-13-20(38-33-31-13)23(36)29-21-19-18(32-34(21)9-7-14-2-3-14)11-24(30-22(19)35)8-6-15-10-16(4-5-17(15)24)37-12-25(26,27)28/h4-5,10,14H,2-3,6-9,11-12H2,1H3,(H,29,36)(H,30,35)/t24-/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]-4-methylthiadiazole-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]-4-methylthiadiazole-5-carboxamide has a molecular weight of 546.58 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 155115395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).