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

C28H19FN4O3 — CID 42559363

IUPAC(4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
SMILESN#CC1=C(N)N(c2ccccc2)C2=C(C(=O)OC2)[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C28H19FN4O3/c29-18-12-10-17(11-13-18)15-32-22-9-5-4-8-20(22)28(27(32)35)21(14-30)25(31)33(19-6-2-1-3-7-19)23-16-36-26(34)24(23)28/h1-13H,15-16,31H2/t28-/m1/s1
InChIKeyHXEKQQBRGZGZTL-MUUNZHRXSA-N
MW478.48 g/mol
LogP3.64
Rot. Bonds3

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

(4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile (PubChem CID 42559363) has the molecular formula C28H19FN4O3 and a molecular weight of 478.48 g/mol. Its IUPAC name is (4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
PubChem CID42559363
Molecular FormulaC28H19FN4O3
Molecular Weight478.48 g/mol
Exact Mass478.14
IUPAC Name(4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
SMILESN#CC1=C(N)N(c2ccccc2)C2=C(C(=O)OC2)[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C28H19FN4O3/c29-18-12-10-17(11-13-18)15-32-22-9-5-4-8-20(22)28(27(32)35)21(14-30)25(31)33(19-6-2-1-3-7-19)23-16-36-26(34)24(23)28/h1-13H,15-16,31H2/t28-/m1/s1
InChIKeyHXEKQQBRGZGZTL-MUUNZHRXSA-N
XLogP3.64
TPSA99.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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-1'-[(2-chlorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 5299176
(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
2-amino-1'-benzyl-7,7-dimethyl-2',5-dioxo-1-phenylspiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile
CID 132580145
(3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile
CID 7305443
(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
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
(4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 29135063
(4R)-2-amino-1'-[(4-fluorophenyl)methyl]-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile
CID 27308428
(5S)-7-amino-1'-[(4-fluorophenyl)methyl]-2,2',4-trioxospiro[1H-pyrano[2,3-d]pyrimidine-5,3'-indole]-6-carbonitrile
CID 95862714
(4S)-6-amino-1'-[(4-fluorophenyl)methyl]-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 1402881
2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile
CID 5299133

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile?
The IUPAC name of (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) is (4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile is N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)OC2)[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12.
What is the InChIKey of (4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile?
The InChIKey is HXEKQQBRGZGZTL-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H19FN4O3/c29-18-12-10-17(11-13-18)15-32-22-9-5-4-8-20(22)28(27(32)35)21(14-30)25(31)33(19-6-2-1-3-7-19)23-16-36-26(34)24(23)28/h1-13H,15-16,31H2/t28-/m1/s1.
What are the key properties of (4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile?
(4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile has a molecular weight of 478.48 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile is sourced from PubChem (CID 42559363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).