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

C23H19F6N5O4 — CID 146607161

IUPAC(3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
SMILESCc1cc(-n2nc3c(c2C(=O)NCC(F)(F)F)C(=O)N[C@@]2(CCc4cc(OCC(F)(F)F)ccc42)C3)no1
InChIInChI=1S/C23H19F6N5O4/c1-11-6-16(33-38-11)34-18(20(36)30-9-22(24,25)26)17-15(32-34)8-21(31-19(17)35)5-4-12-7-13(2-3-14(12)21)37-10-23(27,28)29/h2-3,6-7H,4-5,8-10H2,1H3,(H,30,36)(H,31,35)/t21-/m0/s1
InChIKeyDIMOGJQCAJTQKG-NRFANRHFSA-N
MW543.42 g/mol
LogP3.53
Rot. Bonds5

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

(3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide (PubChem CID 146607161) has the molecular formula C23H19F6N5O4 and a molecular weight of 543.42 g/mol. Its IUPAC name is (3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide.

Molecular Properties

Compound Name(3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
PubChem CID146607161
Molecular FormulaC23H19F6N5O4
Molecular Weight543.42 g/mol
Exact Mass543.13
IUPAC Name(3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
SMILESCc1cc(-n2nc3c(c2C(=O)NCC(F)(F)F)C(=O)N[C@@]2(CCc4cc(OCC(F)(F)F)ccc42)C3)no1
InChIInChI=1S/C23H19F6N5O4/c1-11-6-16(33-38-11)34-18(20(36)30-9-22(24,25)26)17-15(32-34)8-21(31-19(17)35)5-4-12-7-13(2-3-14(12)21)37-10-23(27,28)29/h2-3,6-7H,4-5,8-10H2,1H3,(H,30,36)(H,31,35)/t21-/m0/s1
InChIKeyDIMOGJQCAJTQKG-NRFANRHFSA-N
XLogP3.53
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?
The IUPAC name of (3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide (CID 146607161) is (3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide.
What is the SMILES notation for (3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?
The canonical SMILES for (3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide is Cc1cc(-n2nc3c(c2C(=O)NCC(F)(F)F)C(=O)N[C@@]2(CCc4cc(OCC(F)(F)F)ccc42)C3)no1.
What is the InChIKey of (3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?
The InChIKey is DIMOGJQCAJTQKG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H19F6N5O4/c1-11-6-16(33-38-11)34-18(20(36)30-9-22(24,25)26)17-15(32-34)8-21(31-19(17)35)5-4-12-7-13(2-3-14(12)21)37-10-23(27,28)29/h2-3,6-7H,4-5,8-10H2,1H3,(H,30,36)(H,31,35)/t21-/m0/s1.
What are the key properties of (3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?
(3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide has a molecular weight of 543.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-6-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide is sourced from PubChem (CID 146607161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).