3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide

C19H19N7O — CID 167875621

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
SMILESC#CCCC1(CCC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)N=N1
InChIInChI=1S/C19H19N7O/c1-2-3-8-19(23-24-19)9-7-18(27)22-15-11-20-26(13-15)14-16-12-25-10-5-4-6-17(25)21-16/h1,4-6,10-13H,3,7-9,14H2,(H,22,27)
InChIKeyPUFFFZHMHZTCMP-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.87
Rot. Bonds8

About 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide (PubChem CID 167875621) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
PubChem CID167875621
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
SMILESC#CCCC1(CCC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)N=N1
InChIInChI=1S/C19H19N7O/c1-2-3-8-19(23-24-19)9-7-18(27)22-15-11-20-26(13-15)14-16-12-25-10-5-4-6-17(25)21-16/h1,4-6,10-13H,3,7-9,14H2,(H,22,27)
InChIKeyPUFFFZHMHZTCMP-UHFFFAOYSA-N
XLogP2.87
TPSA88.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
CID 167801991
3-(3-but-3-ynyldiazirin-3-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 166417680
2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
CID 94822508
N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 51105950
(1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98847181
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-oxo-3-(pyridin-3-ylamino)propyl]propanamide
CID 166417757
N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide
CID 166270328
3-(3-but-3-ynyldiazirin-3-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 166417934
N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 167755992
N-[[(2S,3R)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-but-3-ynyldiazirin-3-yl)propanamide
CID 166423322
3-(3-but-3-ynyldiazirin-3-yl)-N-[4-(methanesulfonamido)phenyl]propanamide
CID 167985239
1-[4-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]phenyl]triazole-4-carboxylic acid
CID 154772233

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide (CID 167875621) is 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide is C#CCCC1(CCC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide?
The InChIKey is PUFFFZHMHZTCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-2-3-8-19(23-24-19)9-7-18(27)22-15-11-20-26(13-15)14-16-12-25-10-5-4-6-17(25)21-16/h1,4-6,10-13H,3,7-9,14H2,(H,22,27).
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide has a molecular weight of 361.41 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 167875621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).