5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid

C25H20N4O3 — CID 44515074

IUPAC5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid
SMILESN#Cc1cnc2c(c1)C1(CCN(C(=O)O)CC1)C(=O)N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H20N4O3/c26-15-17-14-21-22(27-16-17)29(23(30)25(21)10-12-28(13-11-25)24(31)32)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-9,14,16H,10-13H2,(H,31,32)
InChIKeyIXXGIWWZQKYUDB-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.31
Rot. Bonds2

About 5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid

5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid (PubChem CID 44515074) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid.

Molecular Properties

Compound Name5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid
PubChem CID44515074
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid
SMILESN#Cc1cnc2c(c1)C1(CCN(C(=O)O)CC1)C(=O)N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H20N4O3/c26-15-17-14-21-22(27-16-17)29(23(30)25(21)10-12-28(13-11-25)24(31)32)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-9,14,16H,10-13H2,(H,31,32)
InChIKeyIXXGIWWZQKYUDB-UHFFFAOYSA-N
XLogP4.31
TPSA97.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-Methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-2'-one
CID 44462724
N-[(2-cyanophenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 153526103
2-(4-{4-[3-(4-Fluoro-phenyl)-3-methyl-2,5-dioxo-pyrrolidin-1-yl]-butyl}-piperazin-1-yl)-nicotinonitrile
CID 13476603
2-[4-[4-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile;hydrochloride
CID 13476615
(3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one
CID 122182248
(3Z)-1-benzyl-3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]pyrrolo[2,3-b]pyridin-2-one
CID 122182262
2-{4-[4-(2,5-Dioxo-3,3-diphenyl-pyrrolidin-1-yl)-butyl]-piperazin-1-yl}-nicotinonitrile
CID 13476605
2h-Pyrrolo[2,3-b]pyridin-2-one,3,3-diethyl-1,3-dihydro-1-phenyl-
CID 14739522
3,3-Dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one
CID 14739530
2-{(3aR, 7aR)-6-[(2-pyrimidin-2-ylphenyl)carbonyl]octahydro-1H-pyrrolo[2,3-c]pyridin-1-yl}pyridine-4-carbonitrile
CID 145996403
2H-Indol-2-one, 1,3-dihydro-1-(1-piperidinylmethyl)-3-(2-pyridinylimino)-
CID 489564
2h-Pyrrolo[2,3-b]pyridin-2-one,3-ethyl-1,3-dihydro-3-methyl-1-phenyl-
CID 14739525

Frequently Asked Questions

What is the IUPAC name of 5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid?
The IUPAC name of 5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid (CID 44515074) is 5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid.
What is the SMILES notation for 5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid?
The canonical SMILES for 5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid is N#Cc1cnc2c(c1)C1(CCN(C(=O)O)CC1)C(=O)N2c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid?
The InChIKey is IXXGIWWZQKYUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c26-15-17-14-21-22(27-16-17)29(23(30)25(21)10-12-28(13-11-25)24(31)32)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-9,14,16H,10-13H2,(H,31,32).
What are the key properties of 5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid?
5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid has a molecular weight of 424.46 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-cyano-2'-oxo-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylic acid is sourced from PubChem (CID 44515074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).