(3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide

C16H14N6O2 — CID 118981293

IUPAC(3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
SMILESN#CN1CC[C@H](C(=O)Nc2cn3cc(-c4cnco4)ccc3n2)C1
InChIInChI=1S/C16H14N6O2/c17-9-21-4-3-12(6-21)16(23)20-14-8-22-7-11(1-2-15(22)19-14)13-5-18-10-24-13/h1-2,5,7-8,10,12H,3-4,6H2,(H,20,23)/t12-/m0/s1
InChIKeyHIHOTLFOWUSDLE-LBPRGKRZSA-N
MW322.33 g/mol
LogP1.73
Rot. Bonds3

About (3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide

(3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide (PubChem CID 118981293) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is (3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
PubChem CID118981293
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name(3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
SMILESN#CN1CC[C@H](C(=O)Nc2cn3cc(-c4cnco4)ccc3n2)C1
InChIInChI=1S/C16H14N6O2/c17-9-21-4-3-12(6-21)16(23)20-14-8-22-7-11(1-2-15(22)19-14)13-5-18-10-24-13/h1-2,5,7-8,10,12H,3-4,6H2,(H,20,23)/t12-/m0/s1
InChIKeyHIHOTLFOWUSDLE-LBPRGKRZSA-N
XLogP1.73
TPSA99.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
CID 118980667
1-cyano-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 118980507
3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980798
(3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
CID 118981154
(3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980831
1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 118980441
N-[6-(6-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155082189
3-[[(3S)-1-cyanopyrrolidine-3-carbonyl]amino]isoquinoline-6-carboxamide
CID 118980660
N-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58158532
1-cyano-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981045
1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea
CID 165414471
1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide
CID 118980499

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide (CID 118981293) is (3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide is N#CN1CC[C@H](C(=O)Nc2cn3cc(-c4cnco4)ccc3n2)C1.
What is the InChIKey of (3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is HIHOTLFOWUSDLE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H14N6O2/c17-9-21-4-3-12(6-21)16(23)20-14-8-22-7-11(1-2-15(22)19-14)13-5-18-10-24-13/h1-2,5,7-8,10,12H,3-4,6H2,(H,20,23)/t12-/m0/s1.
What are the key properties of (3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide?
(3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 118981293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).