(3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile

C19H19N5O — CID 124872060

IUPAC(3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
SMILESCc1nc(C)c(C)c(N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n1
InChIInChI=1S/C19H19N5O/c1-11-12(2)21-13(3)22-17(11)24-9-14(8-20)19(10-24)15-6-4-5-7-16(15)23-18(19)25/h4-7,14H,9-10H2,1-3H3,(H,23,25)/t14-,19-/m0/s1
InChIKeyFZWFJNHMVXFGLO-LIRRHRJNSA-N
MW333.40 g/mol
LogP2.25
Rot. Bonds1

About (3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile

(3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile (PubChem CID 124872060) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile.

Molecular Properties

Compound Name(3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
PubChem CID124872060
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
SMILESCc1nc(C)c(C)c(N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n1
InChIInChI=1S/C19H19N5O/c1-11-12(2)21-13(3)22-17(11)24-9-14(8-20)19(10-24)15-6-4-5-7-16(15)23-18(19)25/h4-7,14H,9-10H2,1-3H3,(H,23,25)/t14-,19-/m0/s1
InChIKeyFZWFJNHMVXFGLO-LIRRHRJNSA-N
XLogP2.25
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
CID 124872105
(3R,3'S)-1'-(2-acetyl-3-fluorophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
CID 124728913
N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide
CID 166406665
2-oxo-1'-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
CID 166195513
1'-[4-methoxy-3-(1-methylpyrazol-3-yl)benzoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
CID 166195174
2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine
CID 133363508
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
CID 11658413
2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 3882374
1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
CID 15366590
1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
CID 15366589
(2'S,3R)-1'-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615956
(3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile
CID 101474683

Frequently Asked Questions

What is the IUPAC name of (3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile?
The IUPAC name of (3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile (CID 124872060) is (3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile.
What is the SMILES notation for (3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile?
The canonical SMILES for (3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile is Cc1nc(C)c(C)c(N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n1.
What is the InChIKey of (3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile?
The InChIKey is FZWFJNHMVXFGLO-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H19N5O/c1-11-12(2)21-13(3)22-17(11)24-9-14(8-20)19(10-24)15-6-4-5-7-16(15)23-18(19)25/h4-7,14H,9-10H2,1-3H3,(H,23,25)/t14-,19-/m0/s1.
What are the key properties of (3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile?
(3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile has a molecular weight of 333.40 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile is sourced from PubChem (CID 124872060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).