(3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile

C17H15N5O — CID 124872105

IUPAC(3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
SMILESCc1ccnc(N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)n1
InChIInChI=1S/C17H15N5O/c1-11-6-7-19-16(20-11)22-9-12(8-18)17(10-22)13-4-2-3-5-14(13)21-15(17)23/h2-7,12H,9-10H2,1H3,(H,21,23)/t12-,17+/m0/s1
InChIKeyQNCLGFHVQAGNDT-YVEFUNNKSA-N
MW305.34 g/mol
LogP1.63
Rot. Bonds1

About (3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile

(3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile (PubChem CID 124872105) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is (3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile.

Molecular Properties

Compound Name(3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
PubChem CID124872105
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name(3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
SMILESCc1ccnc(N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)n1
InChIInChI=1S/C17H15N5O/c1-11-6-7-19-16(20-11)22-9-12(8-18)17(10-22)13-4-2-3-5-14(13)21-15(17)23/h2-7,12H,9-10H2,1H3,(H,21,23)/t12-,17+/m0/s1
InChIKeyQNCLGFHVQAGNDT-YVEFUNNKSA-N
XLogP1.63
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
CID 124872060
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
2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 3882374
1-(4-methylpyrimidin-2-yl)azetidin-3-ol
CID 63283961
1'-[4-methoxy-3-(1-methylpyrazol-3-yl)benzoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
CID 166195174
2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine
CID 123999488
3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane
CID 67086867
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
4-methyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 131025799
1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
CID 15366590
4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345546

Frequently Asked Questions

What is the IUPAC name of (3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile?
The IUPAC name of (3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile (CID 124872105) is (3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile.
What is the SMILES notation for (3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile?
The canonical SMILES for (3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile is Cc1ccnc(N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)n1.
What is the InChIKey of (3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile?
The InChIKey is QNCLGFHVQAGNDT-YVEFUNNKSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-6-7-19-16(20-11)22-9-12(8-18)17(10-22)13-4-2-3-5-14(13)21-15(17)23/h2-7,12H,9-10H2,1H3,(H,21,23)/t12-,17+/m0/s1.
What are the key properties of (3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile?
(3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile is sourced from PubChem (CID 124872105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).