3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide

C17H19N5O — CID 166429954

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide
SMILESC#CCCC1(CCC(=O)N[C@H](C)c2ncc3ccccn23)N=N1
InChIInChI=1S/C17H19N5O/c1-3-4-9-17(20-21-17)10-8-15(23)19-13(2)16-18-12-14-7-5-6-11-22(14)16/h1,5-7,11-13H,4,8-10H2,2H3,(H,19,23)/t13-/m1/s1
InChIKeyJAOHAZGZRNYFHV-CYBMUJFWSA-N
MW309.37 g/mol
LogP2.87
Rot. Bonds7

About 3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide (PubChem CID 166429954) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide
PubChem CID166429954
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide
SMILESC#CCCC1(CCC(=O)N[C@H](C)c2ncc3ccccn23)N=N1
InChIInChI=1S/C17H19N5O/c1-3-4-9-17(20-21-17)10-8-15(23)19-13(2)16-18-12-14-7-5-6-11-22(14)16/h1,5-7,11-13H,4,8-10H2,2H3,(H,19,23)/t13-/m1/s1
InChIKeyJAOHAZGZRNYFHV-CYBMUJFWSA-N
XLogP2.87
TPSA71.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-but-3-ynyldiazirin-3-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 166417619
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-but-3-ynyldiazirin-3-yl)propanamide
CID 154773462
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(6-chloro-1-methylindol-3-yl)ethyl]propanamide
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3-(3-but-3-ynyldiazirin-3-yl)-N-(isoquinolin-1-ylmethyl)propanamide
CID 166417625
2-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid
CID 167808129
2-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 166430459
N-(3-acetamido-2-methylphenyl)-3-(3-but-3-ynyldiazirin-3-yl)propanamide
CID 167831893
3-(3-but-3-ynyldiazirin-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide
CID 166417596
3-(3-but-3-ynyldiazirin-3-yl)-N-[(propanoylamino)methyl]propanamide
CID 165022652
3-(3-but-3-ynyldiazirin-3-yl)-N-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)propanamide
CID 166417624
3-(3-but-3-ynyldiazirin-3-yl)-N-(2-indazol-1-ylethyl)propanamide
CID 167985643
2-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-4-(4-methoxyphenyl)butanoic acid
CID 166430433

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide (CID 166429954) is 3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide is C#CCCC1(CCC(=O)N[C@H](C)c2ncc3ccccn23)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide?
The InChIKey is JAOHAZGZRNYFHV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-4-9-17(20-21-17)10-8-15(23)19-13(2)16-18-12-14-7-5-6-11-22(14)16/h1,5-7,11-13H,4,8-10H2,2H3,(H,19,23)/t13-/m1/s1.
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R)-1-imidazo[1,5-a]pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 166429954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).