2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide

C19H20N6O2 — CID 134400214

IUPAC2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCc1noc(C)c1-c1ccc2nc(NC(=O)CC3CCN(C#N)C3)cn2c1
InChIInChI=1S/C19H20N6O2/c1-12-19(13(2)27-23-12)15-3-4-17-21-16(10-25(17)9-15)22-18(26)7-14-5-6-24(8-14)11-20/h3-4,9-10,14H,5-8H2,1-2H3,(H,22,26)
InChIKeyACFBKIRZSKQCAR-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.74
Rot. Bonds4

About 2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide

2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 134400214) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
PubChem CID134400214
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCc1noc(C)c1-c1ccc2nc(NC(=O)CC3CCN(C#N)C3)cn2c1
InChIInChI=1S/C19H20N6O2/c1-12-19(13(2)27-23-12)15-3-4-17-21-16(10-25(17)9-15)22-18(26)7-14-5-6-24(8-14)11-20/h3-4,9-10,14H,5-8H2,1-2H3,(H,22,26)
InChIKeyACFBKIRZSKQCAR-UHFFFAOYSA-N
XLogP2.74
TPSA99.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

Bet-IN-19
CID 121375819
N-Tert-Butyl-2-[4-(3,5-Dimethyl-1,2-Oxazol-4-Yl)phenyl]imidazo[1,2-A]pyrazin-3-Amine
CID 86208116
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(methylamino)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide chloride
CID 153534231
N-isopropyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrazin-3-amine
CID 117834061
3-(Tert-butylamino)-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117834596
N-cyclohexyl-2-[4-(3,5-dimethyl-4-isoxazolyl)phenyl]-imidazo[1,2-a]pyridin-3-amine
CID 117834606
N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 117841261
N-tert-butyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 117841270
3-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 127030405
N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 137409199
N-tert-butyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 137409200
N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 146589044

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The IUPAC name of 2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide (CID 134400214) is 2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The canonical SMILES for 2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide is Cc1noc(C)c1-c1ccc2nc(NC(=O)CC3CCN(C#N)C3)cn2c1.
What is the InChIKey of 2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The InChIKey is ACFBKIRZSKQCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-19(13(2)27-23-12)15-3-4-17-21-16(10-25(17)9-15)22-18(26)7-14-5-6-24(8-14)11-20/h3-4,9-10,14H,5-8H2,1-2H3,(H,22,26).
What are the key properties of 2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?
2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 364.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanopyrrolidin-3-yl)-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 134400214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).