N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide

C25H24FN3O4S — CID 162672599

IUPACN-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide
SMILESCC1N(S(=O)(=O)c2ccc(F)cc2)c2ccc(NC(=O)c3cccnc3)cc2C12CCOCC2
InChIInChI=1S/C25H24FN3O4S/c1-17-25(10-13-33-14-11-25)22-15-20(28-24(30)18-3-2-12-27-16-18)6-9-23(22)29(17)34(31,32)21-7-4-19(26)5-8-21/h2-9,12,15-17H,10-11,13-14H2,1H3,(H,28,30)
InChIKeyNXVJXSYQDOMGPN-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.12
Rot. Bonds4

About N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide

N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide (PubChem CID 162672599) has the molecular formula C25H24FN3O4S and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide
PubChem CID162672599
Molecular FormulaC25H24FN3O4S
Molecular Weight481.55 g/mol
Exact Mass481.15
IUPAC NameN-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide
SMILESCC1N(S(=O)(=O)c2ccc(F)cc2)c2ccc(NC(=O)c3cccnc3)cc2C12CCOCC2
InChIInChI=1S/C25H24FN3O4S/c1-17-25(10-13-33-14-11-25)22-15-20(28-24(30)18-3-2-12-27-16-18)6-9-23(22)29(17)34(31,32)21-7-4-19(26)5-8-21/h2-9,12,15-17H,10-11,13-14H2,1H3,(H,28,30)
InChIKeyNXVJXSYQDOMGPN-UHFFFAOYSA-N
XLogP4.12
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]pyridine-3-carboxamide
CID 118179235
N-[2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-thiane]-5-yl]pyridine-3-carboxamide
CID 162647697
N-[2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-yl]pyridine-3-carboxamide
CID 162649425
N-[2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1'-imino-1'-oxospiro[2H-indole-3,4'-thiane]-5-yl]pyridine-3-carboxamide
CID 162650892
N-[2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-4'-hydroxy-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-yl]pyridine-3-carboxamide
CID 162656174
N-[2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-yl]pyridine-3-carboxamide
CID 162660654
N-[2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-4'-hydroxyspiro[2H-indole-3,1'-cyclohexane]-5-yl]pyridine-3-carboxamide
CID 162670223
N-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide
CID 58975021
N-[(3-chloro-2-pyridinyl)methyl]-1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-carboxamide
CID 71666074
1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)pyridin-2-yl]methyl]spiro[2H-indole-3,4'-oxane]-5-carboxamide
CID 71666076
1-(4-fluorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-carboxamide
CID 71666225
N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-2-chloropyridine-3-carboxamide
CID 118179062

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide (CID 162672599) is N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide is CC1N(S(=O)(=O)c2ccc(F)cc2)c2ccc(NC(=O)c3cccnc3)cc2C12CCOCC2.
What is the InChIKey of N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide?
The InChIKey is NXVJXSYQDOMGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4S/c1-17-25(10-13-33-14-11-25)22-15-20(28-24(30)18-3-2-12-27-16-18)6-9-23(22)29(17)34(31,32)21-7-4-19(26)5-8-21/h2-9,12,15-17H,10-11,13-14H2,1H3,(H,28,30).
What are the key properties of N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide?
N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 162672599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).