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

C27H28F3N5O4 — CID 162611182

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

(3S)-N-[(1-hydroxycyclopropyl)methyl]-2'-(5-methyl-3,4-dihydropyridin-2-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide (PubChem CID 162611182) has the molecular formula C27H28F3N5O4 and a molecular weight of 543.55 g/mol. Its IUPAC name is (3S)-N-[(1-hydroxycyclopropyl)methyl]-2'-(5-methyl-3,4-dihydropyridin-2-yl)-4'-oxo-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)-N-[(1-hydroxycyclopropyl)methyl]-2'-(5-methyl-3,4-dihydropyridin-2-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
• PubChem CID: 162611182
• Molecular Formula: C27H28F3N5O4
• Molecular Weight: 543.55 g/mol
• Exact Mass: 543.21
• IUPAC Name: (3S)-N-[(1-hydroxycyclopropyl)methyl]-2'-(5-methyl-3,4-dihydropyridin-2-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
• SMILES: CC1=CN=C(n2nc3c(c2C(=O)NCC2(O)CC2)C(=O)N[C@@]2(CCc4cc(OCC(F)(F)F)ccc42)C3)CC1
• InChI: InChI=1S/C27H28F3N5O4/c1-15-2-5-20(31-12-15)35-22(24(37)32-13-25(38)8-9-25)21-19(34-35)11-26(33-23(21)36)7-6-16-10-17(3-4-18(16)26)39-14-27(28,29)30/h3-4,10,12,38H,2,5-9,11,13-14H2,1H3,(H,32,37)(H,33,36)/t26-/m0/s1
• InChIKey: YZNZAPPODOKNGG-SANMLTNESA-N
• XLogP: 3.15
• TPSA: 117.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.55
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-hydroxycyclopropyl)methyl]-2'-(5-methyl-3,4-dihydropyridin-2-yl)-4'-oxo-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)-N-[(1-hydroxycyclopropyl)methyl]-2'-(5-methyl-3,4-dihydropyridin-2-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide (CID 162611182) is (3S)-N-[(1-hydroxycyclopropyl)methyl]-2'-(5-methyl-3,4-dihydropyridin-2-yl)-4'-oxo-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)-N-[(1-hydroxycyclopropyl)methyl]-2'-(5-methyl-3,4-dihydropyridin-2-yl)-4'-oxo-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)-N-[(1-hydroxycyclopropyl)methyl]-2'-(5-methyl-3,4-dihydropyridin-2-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide is CC1=CN=C(n2nc3c(c2C(=O)NCC2(O)CC2)C(=O)N[C@@]2(CCc4cc(OCC(F)(F)F)ccc42)C3)CC1.

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

The InChIKey is YZNZAPPODOKNGG-SANMLTNESA-N. The full InChI is InChI=1S/C27H28F3N5O4/c1-15-2-5-20(31-12-15)35-22(24(37)32-13-25(38)8-9-25)21-19(34-35)11-26(33-23(21)36)7-6-16-10-17(3-4-18(16)26)39-14-27(28,29)30/h3-4,10,12,38H,2,5-9,11,13-14H2,1H3,(H,32,37)(H,33,36)/t26-/m0/s1.

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

(3S)-N-[(1-hydroxycyclopropyl)methyl]-2'-(5-methyl-3,4-dihydropyridin-2-yl)-4'-oxo-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 543.55 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[(1-hydroxycyclopropyl)methyl]-2'-(5-methyl-3,4-dihydropyridin-2-yl)-4'-oxo-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 162611182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).