3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide

C20H27N3O3 — CID 91794310

IUPAC3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide
SMILESCC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CCc1cn2ccccc2n1
InChIInChI=1S/C20H27N3O3/c1-15(2)8-12-26-18-14-25-11-9-17(18)22-20(24)7-6-16-13-23-10-4-3-5-19(23)21-16/h3-5,8,10,13,17-18H,6-7,9,11-12,14H2,1-2H3,(H,22,24)/t17-,18-/m1/s1
InChIKeyQTRLDNKLYHGFOA-QZTJIDSGSA-N
MW357.45 g/mol
LogP2.52
Rot. Bonds7

About 3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide

3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide (PubChem CID 91794310) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide
PubChem CID91794310
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide
SMILESCC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CCc1cn2ccccc2n1
InChIInChI=1S/C20H27N3O3/c1-15(2)8-12-26-18-14-25-11-9-17(18)22-20(24)7-6-16-13-23-10-4-3-5-19(23)21-16/h3-5,8,10,13,17-18H,6-7,9,11-12,14H2,1-2H3,(H,22,24)/t17-,18-/m1/s1
InChIKeyQTRLDNKLYHGFOA-QZTJIDSGSA-N
XLogP2.52
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 91761513
1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide
CID 164634615
N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 133267438
N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 133266943
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 91763945
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide
CID 91795862
1-cyclopropyl-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 79417170
2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide
CID 91797508
2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide
CID 164630030
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 91769067
3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91761236
4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide
CID 91774051

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide?
The IUPAC name of 3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide (CID 91794310) is 3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide is CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CCc1cn2ccccc2n1.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide?
The InChIKey is QTRLDNKLYHGFOA-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15(2)8-12-26-18-14-25-11-9-17(18)22-20(24)7-6-16-13-23-10-4-3-5-19(23)21-16/h3-5,8,10,13,17-18H,6-7,9,11-12,14H2,1-2H3,(H,22,24)/t17-,18-/m1/s1.
What are the key properties of 3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide?
3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide has a molecular weight of 357.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide is sourced from PubChem (CID 91794310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).