(3S)-N-cyclopropylsulfonyl-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

C26H24F3N5O5S — CID 146607149

IUPAC(3S)-N-cyclopropylsulfonyl-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)NS(=O)(=O)C2CC2)C(=O)N[C@@]2(CCc4cc(OCC(F)(F)F)ccc42)C3)nc1
InChIInChI=1S/C26H24F3N5O5S/c1-14-2-7-20(30-12-14)34-22(24(36)33-40(37,38)17-4-5-17)21-19(32-34)11-25(31-23(21)35)9-8-15-10-16(3-6-18(15)25)39-13-26(27,28)29/h2-3,6-7,10,12,17H,4-5,8-9,11,13H2,1H3,(H,31,35)(H,33,36)/t25-/m0/s1
InChIKeyUUZMTETZZQLROB-VWLOTQADSA-N
MW575.57 g/mol
LogP2.87
Rot. Bonds6

About (3S)-N-cyclopropylsulfonyl-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-cyclopropylsulfonyl-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 146607149) has the molecular formula C26H24F3N5O5S and a molecular weight of 575.57 g/mol. Its IUPAC name is (3S)-N-cyclopropylsulfonyl-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-cyclopropylsulfonyl-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 CID146607149
Molecular FormulaC26H24F3N5O5S
Molecular Weight575.57 g/mol
Exact Mass575.15
IUPAC Name(3S)-N-cyclopropylsulfonyl-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)NS(=O)(=O)C2CC2)C(=O)N[C@@]2(CCc4cc(OCC(F)(F)F)ccc42)C3)nc1
InChIInChI=1S/C26H24F3N5O5S/c1-14-2-7-20(30-12-14)34-22(24(36)33-40(37,38)17-4-5-17)21-19(32-34)11-25(31-23(21)35)9-8-15-10-16(3-6-18(15)25)39-13-26(27,28)29/h2-3,6-7,10,12,17H,4-5,8-9,11,13H2,1H3,(H,31,35)(H,33,36)/t25-/m0/s1
InChIKeyUUZMTETZZQLROB-VWLOTQADSA-N
XLogP2.87
TPSA132.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.57
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3S)-N-cyclopropylsulfonyl-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-cyclopropylsulfonyl-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-cyclopropylsulfonyl-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 146607149) is (3S)-N-cyclopropylsulfonyl-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-cyclopropylsulfonyl-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-cyclopropylsulfonyl-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)NS(=O)(=O)C2CC2)C(=O)N[C@@]2(CCc4cc(OCC(F)(F)F)ccc42)C3)nc1.
What is the InChIKey of (3S)-N-cyclopropylsulfonyl-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 UUZMTETZZQLROB-VWLOTQADSA-N. The full InChI is InChI=1S/C26H24F3N5O5S/c1-14-2-7-20(30-12-14)34-22(24(36)33-40(37,38)17-4-5-17)21-19(32-34)11-25(31-23(21)35)9-8-15-10-16(3-6-18(15)25)39-13-26(27,28)29/h2-3,6-7,10,12,17H,4-5,8-9,11,13H2,1H3,(H,31,35)(H,33,36)/t25-/m0/s1.
What are the key properties of (3S)-N-cyclopropylsulfonyl-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-cyclopropylsulfonyl-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 575.57 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropylsulfonyl-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 146607149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).