(3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile

C21H14N4O3 — CID 7305443

IUPAC(3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile
SMILESN#CC1=C(N)N(c2ccccc2)C2=C(C(=O)OC2)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C21H14N4O3/c22-10-14-18(23)25(12-6-2-1-3-7-12)16-11-28-19(26)17(16)21(14)13-8-4-5-9-15(13)24-20(21)27/h1-9H,11,23H2,(H,24,27)/t21-/m0/s1
InChIKeyXBYCLUWLOREKRP-NRFANRHFSA-N
MW370.37 g/mol
LogP1.90
Rot. Bonds1

About (3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile

(3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile (PubChem CID 7305443) has the molecular formula C21H14N4O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is (3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile.

Molecular Properties

Compound Name(3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile
PubChem CID7305443
Molecular FormulaC21H14N4O3
Molecular Weight370.37 g/mol
Exact Mass370.11
IUPAC Name(3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile
SMILESN#CC1=C(N)N(c2ccccc2)C2=C(C(=O)OC2)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C21H14N4O3/c22-10-14-18(23)25(12-6-2-1-3-7-12)16-11-28-19(26)17(16)21(14)13-8-4-5-9-15(13)24-20(21)27/h1-9H,11,23H2,(H,24,27)/t21-/m0/s1
InChIKeyXBYCLUWLOREKRP-NRFANRHFSA-N
XLogP1.90
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 7305118
(3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
CID 7426343
(4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 42559363
(3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 7426356
2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 5073424
2-amino-1'-[(2-chlorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 5299176
(4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 29135063
2'-amino-6'-benzyl-1'-(4-ethoxyphenyl)-2,5'-dioxospiro[1H-indole-3,4'-7H-pyrrolo[3,4-b]pyridine]-3'-carbonitrile
CID 122206263
(4S)-2-amino-2',5-dioxo-1'-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]spiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 42554170
(4S)-2-amino-1-(4-ethylphenyl)-1'-[(2-fluorophenyl)methyl]-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 42584136
(4R)-2-amino-1-(3-chlorophenyl)-1'-[(3-fluorophenyl)methyl]-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 42559617
2-amino-2',5-dioxo-1'-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]spiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 5299363

Frequently Asked Questions

What is the IUPAC name of (3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile?
The IUPAC name of (3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile (CID 7305443) is (3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile.
What is the SMILES notation for (3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile?
The canonical SMILES for (3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile is N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)OC2)[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile?
The InChIKey is XBYCLUWLOREKRP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H14N4O3/c22-10-14-18(23)25(12-6-2-1-3-7-12)16-11-28-19(26)17(16)21(14)13-8-4-5-9-15(13)24-20(21)27/h1-9H,11,23H2,(H,24,27)/t21-/m0/s1.
What are the key properties of (3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile?
(3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile has a molecular weight of 370.37 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile is sourced from PubChem (CID 7305443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).