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

C25H23F3N6O4 — CID 146606844

IUPAC(3S)-N-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
SMILESCc1ccc(-n2nc3c(c2C(=O)NCC(N)=O)C(=O)N[C@@]2(CCc4cc(OCC(F)(F)F)ccc42)C3)nc1
InChIInChI=1S/C25H23F3N6O4/c1-13-2-5-19(30-10-13)34-21(23(37)31-11-18(29)35)20-17(33-34)9-24(32-22(20)36)7-6-14-8-15(3-4-16(14)24)38-12-25(26,27)28/h2-5,8,10H,6-7,9,11-12H2,1H3,(H2,29,35)(H,31,37)(H,32,36)/t24-/m0/s1
InChIKeyYZAHJOPGXYCSKE-DEOSSOPVSA-N
MW528.49 g/mol
LogP1.86
Rot. Bonds6

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

(3S)-N-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide (PubChem CID 146606844) has the molecular formula C25H23F3N6O4 and a molecular weight of 528.49 g/mol. Its IUPAC name is (3S)-N-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-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-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
PubChem CID146606844
Molecular FormulaC25H23F3N6O4
Molecular Weight528.49 g/mol
Exact Mass528.17
IUPAC Name(3S)-N-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
SMILESCc1ccc(-n2nc3c(c2C(=O)NCC(N)=O)C(=O)N[C@@]2(CCc4cc(OCC(F)(F)F)ccc42)C3)nc1
InChIInChI=1S/C25H23F3N6O4/c1-13-2-5-19(30-10-13)34-21(23(37)31-11-18(29)35)20-17(33-34)9-24(32-22(20)36)7-6-14-8-15(3-4-16(14)24)38-12-25(26,27)28/h2-5,8,10H,6-7,9,11-12H2,1H3,(H2,29,35)(H,31,37)(H,32,36)/t24-/m0/s1
InChIKeyYZAHJOPGXYCSKE-DEOSSOPVSA-N
XLogP1.86
TPSA141.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.49
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3S)-N-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)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)-N-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-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-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide (CID 146606844) is (3S)-N-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-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-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-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-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide is Cc1ccc(-n2nc3c(c2C(=O)NCC(N)=O)C(=O)N[C@@]2(CCc4cc(OCC(F)(F)F)ccc42)C3)nc1.
What is the InChIKey of (3S)-N-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-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 YZAHJOPGXYCSKE-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H23F3N6O4/c1-13-2-5-19(30-10-13)34-21(23(37)31-11-18(29)35)20-17(33-34)9-24(32-22(20)36)7-6-14-8-15(3-4-16(14)24)38-12-25(26,27)28/h2-5,8,10H,6-7,9,11-12H2,1H3,(H2,29,35)(H,31,37)(H,32,36)/t24-/m0/s1.
What are the key properties of (3S)-N-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?
(3S)-N-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-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 528.49 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-amino-2-oxoethyl)-2'-(5-methyl-2-pyridinyl)-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 146606844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).