1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile

C19H22N4O2 — CID 176975579

IUPAC1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C(=O)CN1C(=O)C2(CCCCC2)c2ncccc21
InChIInChI=1S/C19H22N4O2/c20-12-14-6-5-11-22(14)16(24)13-23-15-7-4-10-21-17(15)19(18(23)25)8-2-1-3-9-19/h4,7,10,14H,1-3,5-6,8-9,11,13H2
InChIKeyOHMFSRHBNGJPQB-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.14
Rot. Bonds2

About 1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile

1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 176975579) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile
PubChem CID176975579
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C(=O)CN1C(=O)C2(CCCCC2)c2ncccc21
InChIInChI=1S/C19H22N4O2/c20-12-14-6-5-11-22(14)16(24)13-23-15-7-4-10-21-17(15)19(18(23)25)8-2-1-3-9-19/h4,7,10,14H,1-3,5-6,8-9,11,13H2
InChIKeyOHMFSRHBNGJPQB-UHFFFAOYSA-N
XLogP2.14
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-(4-phenyltriazol-1-yl)acetyl]pyrrolidine-2-carbonitrile
CID 90655548
2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide
CID 69032484
1'-[2-[(2S)-2-tert-butylpyrrolidin-1-yl]-2-oxoethyl]-3-(1-tritylpyrazolo[4,5-b]pyridin-5-yl)oxyspiro[cyclobutane-1,3'-pyrrolo[3,2-b]pyridine]-2'-one
CID 176975389
(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carbonitrile
CID 71567750
1-(2-iodoacetyl)pyrrolidine-2-carbonitrile
CID 67599806
1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile
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(2S)-1-[2-[(4-methyl-1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carbonitrile;dihydrochloride
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(2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile
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1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 85349252
1-[2-[[5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-bicyclo[3.2.1]octanyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 143174590
(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 94616491
(2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile
CID 90655547

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile (CID 176975579) is 1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile is N#CC1CCCN1C(=O)CN1C(=O)C2(CCCCC2)c2ncccc21.
What is the InChIKey of 1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is OHMFSRHBNGJPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-12-14-6-5-11-22(14)16(24)13-23-15-7-4-10-21-17(15)19(18(23)25)8-2-1-3-9-19/h4,7,10,14H,1-3,5-6,8-9,11,13H2.
What are the key properties of 1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile?
1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2'-oxospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-1'-yl)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 176975579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).