(2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C19H24ClFN4O3 — CID 163373157

IUPAC(2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCN[C@@H](CC(C)(C)F)C(=O)N1C[C@]2(C[C@H]1C(N)=O)C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C19H24ClFN4O3/c1-18(2,21)7-13(23-3)16(27)25-9-19(8-14(25)15(22)26)11-6-10(20)4-5-12(11)24-17(19)28/h4-6,13-14,23H,7-9H2,1-3H3,(H2,22,26)(H,24,28)/t13-,14-,19-/m0/s1
InChIKeySKPHTVMCISBFKL-NJSLBKSFSA-N
MW410.88 g/mol
LogP1.34
Rot. Bonds5

About (2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

(2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 163373157) has the molecular formula C19H24ClFN4O3 and a molecular weight of 410.88 g/mol. Its IUPAC name is (2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name(2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID163373157
Molecular FormulaC19H24ClFN4O3
Molecular Weight410.88 g/mol
Exact Mass410.15
IUPAC Name(2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCN[C@@H](CC(C)(C)F)C(=O)N1C[C@]2(C[C@H]1C(N)=O)C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C19H24ClFN4O3/c1-18(2,21)7-13(23-3)16(27)25-9-19(8-14(25)15(22)26)11-6-10(20)4-5-12(11)24-17(19)28/h4-6,13-14,23H,7-9H2,1-3H3,(H2,22,26)(H,24,28)/t13-,14-,19-/m0/s1
InChIKeySKPHTVMCISBFKL-NJSLBKSFSA-N
XLogP1.34
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide with MolForge

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Related Compounds

tert-butyl (2'S)-2'-carbamoyl-5-chloro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 164777025
(2'S,3R)-1'-[5-methyl-2-(methylamino)hexanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 175232346
benzyl N-[(2S)-1-[(2'S,3R)-2'-carbamoyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]carbamate
CID 163373616
(2'S,3R)-1'-[(2S)-4,4-dimethyl-2-(trideuteriomethylamino)pentanoyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-carboxamide;hydrochloride
CID 171780718
5-chloro-N-[1-(2'-ethynyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-fluoro-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 168880581
N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-fluoro-4-methyl-1-oxopentan-2-yl]-N-methyl-2-pyridin-2-ylacetamide
CID 163373283
methyl (3R)-5-chloro-1'-[2-[(4,6-difluoro-2,3-dihydro-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 167080053
benzyl N-[(2S)-1-[(2'S,3R)-2'-carbamoyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 164777020
N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-fluoro-4-methyl-1-oxopentan-2-yl]-2,2-difluoro-N-methyl-2-pyridin-3-ylacetamide
CID 163372847
methyl 4-bromo-2-[[[(2S)-1-[(2'S,3R)-2'-carbamoyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]amino]methyl]benzoate
CID 168792868
N-[(2S)-1-[(3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-fluoro-4-methyl-1-oxopentan-2-yl]-N-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 167075417
(2R,2'S)-6-fluoro-1'-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3-oxospiro[4H-1,4-benzoxazine-2,4'-pyrrolidine]-2'-carboxamide
CID 171732899

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of (2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 163373157) is (2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for (2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for (2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is CN[C@@H](CC(C)(C)F)C(=O)N1C[C@]2(C[C@H]1C(N)=O)C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of (2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is SKPHTVMCISBFKL-NJSLBKSFSA-N. The full InChI is InChI=1S/C19H24ClFN4O3/c1-18(2,21)7-13(23-3)16(27)25-9-19(8-14(25)15(22)26)11-6-10(20)4-5-12(11)24-17(19)28/h4-6,13-14,23H,7-9H2,1-3H3,(H2,22,26)(H,24,28)/t13-,14-,19-/m0/s1.
What are the key properties of (2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
(2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 410.88 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-5-chloro-1'-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 163373157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).