N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide

C23H25F4N3OS — CID 168956591

IUPACN-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide
SMILESCC(C)(C)Cn1cc(CNS(=O)C2CC2)c2cc(F)c(-c3ncccc3C(F)(F)F)cc21
InChIInChI=1S/C23H25F4N3OS/c1-22(2,3)13-30-12-14(11-29-32(31)15-6-7-15)16-9-19(24)17(10-20(16)30)21-18(23(25,26)27)5-4-8-28-21/h4-5,8-10,12,15,29H,6-7,11,13H2,1-3H3
InChIKeySMBSVIWKRBFEFC-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.82
Rot. Bonds6

About N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide

N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide (PubChem CID 168956591) has the molecular formula C23H25F4N3OS and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide.

Molecular Properties

Compound NameN-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide
PubChem CID168956591
Molecular FormulaC23H25F4N3OS
Molecular Weight467.53 g/mol
Exact Mass467.17
IUPAC NameN-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide
SMILESCC(C)(C)Cn1cc(CNS(=O)C2CC2)c2cc(F)c(-c3ncccc3C(F)(F)F)cc21
InChIInChI=1S/C23H25F4N3OS/c1-22(2,3)13-30-12-14(11-29-32(31)15-6-7-15)16-9-19(24)17(10-20(16)30)21-18(23(25,26)27)5-4-8-28-21/h4-5,8-10,12,15,29H,6-7,11,13H2,1-3H3
InChIKeySMBSVIWKRBFEFC-UHFFFAOYSA-N
XLogP5.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide with MolForge

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Related Compounds

N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
CID 58215744
6-(3-cyano-1-cyclobutyl-6-cyclopropyl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66730741
6-(3-cyano-1-cyclobutyl-5-fluoro-6-methyl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66730810
6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoro-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66730917
6-(3-cyano-1-cyclobutyl-6-cyclopropyl-indol-2-yl)-N-[(1R)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66731231
6-(3-cyano-1-cyclobutyl-6-cyclopropyl-5-fluoro-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66731397
6-(3-cyano-1-cyclobutyl-4-fluoro-6-methyl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66734273
4-(2-{1-[4-(trifluoromethyl)benzyl]-1H-indol-3-yl}ethyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 1477606
4-{2-[1-(4-fluorobenzyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione
CID 3645729
1-(Butane-1-sulfonyl)-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 44389024
3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole
CID 44531082
N-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide
CID 155564132

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide?
The IUPAC name of N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide (CID 168956591) is N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide.
What is the SMILES notation for N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide?
The canonical SMILES for N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide is CC(C)(C)Cn1cc(CNS(=O)C2CC2)c2cc(F)c(-c3ncccc3C(F)(F)F)cc21.
What is the InChIKey of N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide?
The InChIKey is SMBSVIWKRBFEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4N3OS/c1-22(2,3)13-30-12-14(11-29-32(31)15-6-7-15)16-9-19(24)17(10-20(16)30)21-18(23(25,26)27)5-4-8-28-21/h4-5,8-10,12,15,29H,6-7,11,13H2,1-3H3.
What are the key properties of N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide?
N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide has a molecular weight of 467.53 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide is sourced from PubChem (CID 168956591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).