N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide

C30H23ClF3N5O3 — CID 167075560

IUPACN-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide
SMILESN#C[C@@H]1C[C@]2(CN1C(=O)[C@H](Cc1ccccc1F)NC(=O)c1cc3c(F)cc(F)cc3[nH]1)c1cc(Cl)ccc1NC2O
InChIInChI=1S/C30H23ClF3N5O3/c31-16-5-6-23-20(8-16)30(29(42)38-23)12-18(13-35)39(14-30)28(41)26(7-15-3-1-2-4-21(15)33)37-27(40)25-11-19-22(34)9-17(32)10-24(19)36-25/h1-6,8-11,18,26,29,36,38,42H,7,12,14H2,(H,37,40)/t18-,26-,29?,30-/m0/s1
InChIKeyGTWJMAPTDJJLCX-XSYZYGQXSA-N
MW593.99 g/mol
LogP4.39
Rot. Bonds5

About N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide

N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide (PubChem CID 167075560) has the molecular formula C30H23ClF3N5O3 and a molecular weight of 593.99 g/mol. Its IUPAC name is N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide
PubChem CID167075560
Molecular FormulaC30H23ClF3N5O3
Molecular Weight593.99 g/mol
Exact Mass593.14
IUPAC NameN-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide
SMILESN#C[C@@H]1C[C@]2(CN1C(=O)[C@H](Cc1ccccc1F)NC(=O)c1cc3c(F)cc(F)cc3[nH]1)c1cc(Cl)ccc1NC2O
InChIInChI=1S/C30H23ClF3N5O3/c31-16-5-6-23-20(8-16)30(29(42)38-23)12-18(13-35)39(14-30)28(41)26(7-15-3-1-2-4-21(15)33)37-27(40)25-11-19-22(34)9-17(32)10-24(19)36-25/h1-6,8-11,18,26,29,36,38,42H,7,12,14H2,(H,37,40)/t18-,26-,29?,30-/m0/s1
InChIKeyGTWJMAPTDJJLCX-XSYZYGQXSA-N
XLogP4.39
TPSA121.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.99
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide
CID 163373415
N-[(2S)-1-[(2'S,3R)-2'-cyano-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 163373593
N-[1-[2-cyano-4-[(2-fluorophenyl)carbamoyl]-4-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 167075761
N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 165414336
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 163373589
N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 165414332
N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 165414269
N-[1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 167075427
N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 165414310
N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 163373492
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-3-(4,6-difluoro-1H-indol-2-yl)-N-methyl-3-oxopropanamide
CID 168880683
N-[(2S)-1-[(3R)-4-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-fluoro-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 165414341

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide (CID 167075560) is N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide is N#C[C@@H]1C[C@]2(CN1C(=O)[C@H](Cc1ccccc1F)NC(=O)c1cc3c(F)cc(F)cc3[nH]1)c1cc(Cl)ccc1NC2O.
What is the InChIKey of N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide?
The InChIKey is GTWJMAPTDJJLCX-XSYZYGQXSA-N. The full InChI is InChI=1S/C30H23ClF3N5O3/c31-16-5-6-23-20(8-16)30(29(42)38-23)12-18(13-35)39(14-30)28(41)26(7-15-3-1-2-4-21(15)33)37-27(40)25-11-19-22(34)9-17(32)10-24(19)36-25/h1-6,8-11,18,26,29,36,38,42H,7,12,14H2,(H,37,40)/t18-,26-,29?,30-/m0/s1.
What are the key properties of N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide?
N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide has a molecular weight of 593.99 g/mol, XLogP of 4.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-hydroxyspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 167075560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).