N-[(4R)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide

C24H24F3N5O6S — CID 155116036

IUPACN-[(4R)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
SMILESCc1cc(-n2nc3c(c2NC(=O)CS(C)(=O)=O)C(=O)N[C@@]2(CCOc4cc(CCC(F)(F)F)ccc42)C3)no1
InChIInChI=1S/C24H24F3N5O6S/c1-13-9-18(31-38-13)32-21(28-19(33)12-39(2,35)36)20-16(30-32)11-23(29-22(20)34)7-8-37-17-10-14(3-4-15(17)23)5-6-24(25,26)27/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,28,33)(H,29,34)/t23-/m0/s1
InChIKeyACZVIDLUXHAYRS-QHCPKHFHSA-N
MW567.55 g/mol
LogP2.61
Rot. Bonds6

About N-[(4R)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide

N-[(4R)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide (PubChem CID 155116036) has the molecular formula C24H24F3N5O6S and a molecular weight of 567.55 g/mol. Its IUPAC name is N-[(4R)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[(4R)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
PubChem CID155116036
Molecular FormulaC24H24F3N5O6S
Molecular Weight567.55 g/mol
Exact Mass567.14
IUPAC NameN-[(4R)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
SMILESCc1cc(-n2nc3c(c2NC(=O)CS(C)(=O)=O)C(=O)N[C@@]2(CCOc4cc(CCC(F)(F)F)ccc42)C3)no1
InChIInChI=1S/C24H24F3N5O6S/c1-13-9-18(31-38-13)32-21(28-19(33)12-39(2,35)36)20-16(30-32)11-23(29-22(20)34)7-8-37-17-10-14(3-4-15(17)23)5-6-24(25,26)27/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,28,33)(H,29,34)/t23-/m0/s1
InChIKeyACZVIDLUXHAYRS-QHCPKHFHSA-N
XLogP2.61
TPSA145.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.55
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(4R)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)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-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide (CID 155116036) is N-[(4R)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)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-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)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-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide is Cc1cc(-n2nc3c(c2NC(=O)CS(C)(=O)=O)C(=O)N[C@@]2(CCOc4cc(CCC(F)(F)F)ccc42)C3)no1.
What is the InChIKey of N-[(4R)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide?
The InChIKey is ACZVIDLUXHAYRS-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24F3N5O6S/c1-13-9-18(31-38-13)32-21(28-19(33)12-39(2,35)36)20-16(30-32)11-23(29-22(20)34)7-8-37-17-10-14(3-4-15(17)23)5-6-24(25,26)27/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,28,33)(H,29,34)/t23-/m0/s1.
What are the key properties of N-[(4R)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide?
N-[(4R)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide has a molecular weight of 567.55 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2'-(5-methyl-1,2-oxazol-3-yl)-4'-oxo-7-(3,3,3-trifluoropropyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide is sourced from PubChem (CID 155116036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).