3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile

C22H19N5O2 — CID 118066345

IUPAC3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCCC1CCCN1C(=O)c1ccc2c(-c3cnc4ccc(C#N)cn34)noc2c1
InChIInChI=1S/C22H19N5O2/c1-2-16-4-3-9-26(16)22(28)15-6-7-17-19(10-15)29-25-21(17)18-12-24-20-8-5-14(11-23)13-27(18)20/h5-8,10,12-13,16H,2-4,9H2,1H3
InChIKeyGGAZFRRXYKDEMD-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.03
Rot. Bonds3

About 3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile

3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 118066345) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID118066345
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCCC1CCCN1C(=O)c1ccc2c(-c3cnc4ccc(C#N)cn34)noc2c1
InChIInChI=1S/C22H19N5O2/c1-2-16-4-3-9-26(16)22(28)15-6-7-17-19(10-15)29-25-21(17)18-12-24-20-8-5-14(11-23)13-27(18)20/h5-8,10,12-13,16H,2-4,9H2,1H3
InChIKeyGGAZFRRXYKDEMD-UHFFFAOYSA-N
XLogP4.03
TPSA87.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile with MolForge

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Related Compounds

(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63971232
4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile
CID 79028617
4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile
CID 66260511
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 54885795
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(3S)-2-butyl-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 67241136
(3-bromo-4-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 79458333
4-[2-(2-ethylpyrrolidin-1-yl)acetyl]benzonitrile
CID 54885976

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 118066345) is 3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile is CCC1CCCN1C(=O)c1ccc2c(-c3cnc4ccc(C#N)cn34)noc2c1.
What is the InChIKey of 3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is GGAZFRRXYKDEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-2-16-4-3-9-26(16)22(28)15-6-7-17-19(10-15)29-25-21(17)18-12-24-20-8-5-14(11-23)13-27(18)20/h5-8,10,12-13,16H,2-4,9H2,1H3.
What are the key properties of 3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 385.43 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-ethylpyrrolidine-1-carbonyl)-1,2-benzoxazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 118066345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).