N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide

C27H26F3N5O6S — CID 146606910

IUPACN-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1c2c(nn1-c1ccc(C3CC3)cn1)C[C@]1(CCOc3cc(OCC(F)(F)F)ccc31)NC2=O
InChIInChI=1S/C27H26F3N5O6S/c1-42(38,39)13-22(36)32-24-23-19(34-35(24)21-7-4-16(12-31-21)15-2-3-15)11-26(33-25(23)37)8-9-40-20-10-17(5-6-18(20)26)41-14-27(28,29)30/h4-7,10,12,15H,2-3,8-9,11,13-14H2,1H3,(H,32,36)(H,33,37)/t26-/m0/s1
InChIKeyFZGYDKXUXSYKEM-SANMLTNESA-N
MW605.60 g/mol
LogP3.03
Rot. Bonds7

About N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide

N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide (PubChem CID 146606910) has the molecular formula C27H26F3N5O6S and a molecular weight of 605.60 g/mol. Its IUPAC name is N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
PubChem CID146606910
Molecular FormulaC27H26F3N5O6S
Molecular Weight605.60 g/mol
Exact Mass605.16
IUPAC NameN-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1c2c(nn1-c1ccc(C3CC3)cn1)C[C@]1(CCOc3cc(OCC(F)(F)F)ccc31)NC2=O
InChIInChI=1S/C27H26F3N5O6S/c1-42(38,39)13-22(36)32-24-23-19(34-35(24)21-7-4-16(12-31-21)15-2-3-15)11-26(33-25(23)37)8-9-40-20-10-17(5-6-18(20)26)41-14-27(28,29)30/h4-7,10,12,15H,2-3,8-9,11,13-14H2,1H3,(H,32,36)(H,33,37)/t26-/m0/s1
InChIKeyFZGYDKXUXSYKEM-SANMLTNESA-N
XLogP3.03
TPSA141.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.60
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide with MolForge

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Related Compounds

N-[(4R)-5,7-difluoro-2'-(5-methyl-2-pyridinyl)-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
CID 153266620
US11198695, Example II-202
CID 146607149
US11198695, Example II-294
CID 146608240
US11198695, Example II-297
CID 146608280
US11198695, Example I-77
CID 155115375
US11198695, Example II-143
CID 155115460
US11198695, Example II-233
CID 155115798
US11198695, Example II-257
CID 155115998
US11198695, Example II-295
CID 155116008
US11198695, Example II-298
CID 155116039
US11198695, Example II-259
CID 155613784
US11198695, Example II-64
CID 146606805

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide?
The IUPAC name of N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide (CID 146606910) is N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)Nc1c2c(nn1-c1ccc(C3CC3)cn1)C[C@]1(CCOc3cc(OCC(F)(F)F)ccc31)NC2=O.
What is the InChIKey of N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide?
The InChIKey is FZGYDKXUXSYKEM-SANMLTNESA-N. The full InChI is InChI=1S/C27H26F3N5O6S/c1-42(38,39)13-22(36)32-24-23-19(34-35(24)21-7-4-16(12-31-21)15-2-3-15)11-26(33-25(23)37)8-9-40-20-10-17(5-6-18(20)26)41-14-27(28,29)30/h4-7,10,12,15H,2-3,8-9,11,13-14H2,1H3,(H,32,36)(H,33,37)/t26-/m0/s1.
What are the key properties of N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide?
N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide has a molecular weight of 605.60 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide is sourced from PubChem (CID 146606910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).