(3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide

C19H20N6O2 — CID 118981154

IUPAC(3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
SMILESCc1noc(C)c1-c1ccc2nc(NC(=O)[C@H]3CCN(C#N)C3)cn2c1C
InChIInChI=1S/C19H20N6O2/c1-11-18(13(3)27-23-11)15-4-5-17-21-16(9-25(17)12(15)2)22-19(26)14-6-7-24(8-14)10-20/h4-5,9,14H,6-8H2,1-3H3,(H,22,26)/t14-/m0/s1
InChIKeyUSTRHZPYRHAYEJ-AWEZNQCLSA-N
MW364.41 g/mol
LogP2.66
Rot. Bonds3

About (3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide

(3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide (PubChem CID 118981154) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is (3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
PubChem CID118981154
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name(3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
SMILESCc1noc(C)c1-c1ccc2nc(NC(=O)[C@H]3CCN(C#N)C3)cn2c1C
InChIInChI=1S/C19H20N6O2/c1-11-18(13(3)27-23-11)15-4-5-17-21-16(9-25(17)12(15)2)22-19(26)14-6-7-24(8-14)10-20/h4-5,9,14H,6-8H2,1-3H3,(H,22,26)/t14-/m0/s1
InChIKeyUSTRHZPYRHAYEJ-AWEZNQCLSA-N
XLogP2.66
TPSA99.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.66
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-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide;(3S)-1-cyano-N-[6-(4-methoxyphenyl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide
CID 162070305
(3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
CID 118981293
(3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
CID 118980667
(3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide
CID 118981155
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide
CID 162678154
1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 118980441
1-acetyl-N-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide
CID 110745725
N-(2-bromo-3-methylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrrolidine-3-carboxamide
CID 115274941
1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide
CID 118980499
N-(1-benzylimidazol-4-yl)-1-cyanopyrrolidine-3-carboxamide
CID 118981254
1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980455
1-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981004

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (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) is (3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide is Cc1noc(C)c1-c1ccc2nc(NC(=O)[C@H]3CCN(C#N)C3)cn2c1C.
What is the InChIKey of (3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is USTRHZPYRHAYEJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-11-18(13(3)27-23-11)15-4-5-17-21-16(9-25(17)12(15)2)22-19(26)14-6-7-24(8-14)10-20/h4-5,9,14H,6-8H2,1-3H3,(H,22,26)/t14-/m0/s1.
What are the key properties of (3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide?
(3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.66, 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-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 118981154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).