(2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C21H15ClN2O — CID 15956397

IUPAC(2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(-c2ccccc2)n1
InChIInChI=1S/C21H15ClN2O/c22-14-9-10-19-15(11-14)21(20(25)24-19)12-16(21)18-8-4-7-17(23-18)13-5-2-1-3-6-13/h1-11,16H,12H2,(H,24,25)/t16-,21-/m1/s1
InChIKeyRAKDWRKORKWPNZ-IIBYNOLFSA-N
MW346.82 g/mol
LogP4.78
Rot. Bonds2

About (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956397) has the molecular formula C21H15ClN2O and a molecular weight of 346.82 g/mol. Its IUPAC name is (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956397
Molecular FormulaC21H15ClN2O
Molecular Weight346.82 g/mol
Exact Mass346.09
IUPAC Name(2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(-c2ccccc2)n1
InChIInChI=1S/C21H15ClN2O/c22-14-9-10-19-15(11-14)21(20(25)24-19)12-16(21)18-8-4-7-17(23-18)13-5-2-1-3-6-13/h1-11,16H,12H2,(H,24,25)/t16-,21-/m1/s1
InChIKeyRAKDWRKORKWPNZ-IIBYNOLFSA-N
XLogP4.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one with MolForge

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Related Compounds

EX 527
CID 5113032
(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 707029
9-Chloro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 383785
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-cyclopropylmethyl-piperazin-1-yl)-propan-1-one
CID 44333607
2-(3-Chlorophenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one
CID 389012
(R)-6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 707032
2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide
CID 3995234
2-[5-Chloro-2-(4-fluorophenyl)-1H-indol-3-YL]-N,N-dihexylacetamide
CID 10096284
5-chloro-3',3'-dimethylspiro[1H-indole-3,1'-4,9-dihydro-2H-pyrido[3,4-b]indole]-2-one
CID 46867389
2-(4-((2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino)phenyl)acetamide
CID 74220906
2-(4-((2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)methyl)phenyl)acetamide
CID 90338579
Vincantril
CID 68854

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956397) is (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(-c2ccccc2)n1.
What is the InChIKey of (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is RAKDWRKORKWPNZ-IIBYNOLFSA-N. The full InChI is InChI=1S/C21H15ClN2O/c22-14-9-10-19-15(11-14)21(20(25)24-19)12-16(21)18-8-4-7-17(23-18)13-5-2-1-3-6-13/h1-11,16H,12H2,(H,24,25)/t16-,21-/m1/s1.
What are the key properties of (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 346.82 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).