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

C23H18N4O2 — CID 52900789

IUPAC2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc([C@H]2NCC[C@]23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C23H18N4O2/c24-14-16-4-3-12-26-21(16)29-17-9-7-15(8-10-17)20-23(11-13-25-20)18-5-1-2-6-19(18)27-22(23)28/h1-10,12,20,25H,11,13H2,(H,27,28)/t20-,23-/m1/s1
InChIKeyMGCMHHSGXZZDRV-NFBKMPQASA-N
MW382.42 g/mol
LogP3.67
Rot. Bonds3

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

2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile (PubChem CID 52900789) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile
PubChem CID52900789
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc([C@H]2NCC[C@]23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C23H18N4O2/c24-14-16-4-3-12-26-21(16)29-17-9-7-15(8-10-17)20-23(11-13-25-20)18-5-1-2-6-19(18)27-22(23)28/h1-10,12,20,25H,11,13H2,(H,27,28)/t20-,23-/m1/s1
InChIKeyMGCMHHSGXZZDRV-NFBKMPQASA-N
XLogP3.67
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile (CID 52900789) is 2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile is N#Cc1cccnc1Oc1ccc([C@H]2NCC[C@]23C(=O)Nc2ccccc23)cc1.
What is the InChIKey of 2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile?
The InChIKey is MGCMHHSGXZZDRV-NFBKMPQASA-N. The full InChI is InChI=1S/C23H18N4O2/c24-14-16-4-3-12-26-21(16)29-17-9-7-15(8-10-17)20-23(11-13-25-20)18-5-1-2-6-19(18)27-22(23)28/h1-10,12,20,25H,11,13H2,(H,27,28)/t20-,23-/m1/s1.
What are the key properties of 2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile?
2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile has a molecular weight of 382.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 52900789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).