3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide

C22H21N5O2 — CID 167801991

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
SMILESC#CCCC1(CCC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)N=N1
InChIInChI=1S/C22H21N5O2/c1-2-3-11-22(25-26-22)12-10-21(28)24-17-7-6-8-19(14-17)29-16-18-15-27-13-5-4-9-20(27)23-18/h1,4-9,13-15H,3,10-12,16H2,(H,24,28)
InChIKeyFHCPVXNDHUCBBS-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.21
Rot. Bonds9

About 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide (PubChem CID 167801991) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
PubChem CID167801991
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
SMILESC#CCCC1(CCC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)N=N1
InChIInChI=1S/C22H21N5O2/c1-2-3-11-22(25-26-22)12-10-21(28)24-17-7-6-8-19(14-17)29-16-18-15-27-13-5-4-9-20(27)23-18/h1,4-9,13-15H,3,10-12,16H2,(H,24,28)
InChIKeyFHCPVXNDHUCBBS-UHFFFAOYSA-N
XLogP4.21
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
CID 167875621
N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582393
3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
CID 56530513
N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide
CID 56582654
4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
CID 56537727
N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 56537785
4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
CID 56582359
4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582434
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]naphthalene-1-carboxamide
CID 56537813
2-(3-cyanophenoxy)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
CID 56537373
4-[ethyl(methyl)amino]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530641
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 56537352

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide (CID 167801991) is 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide is C#CCCC1(CCC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide?
The InChIKey is FHCPVXNDHUCBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-2-3-11-22(25-26-22)12-10-21(28)24-17-7-6-8-19(14-17)29-16-18-15-27-13-5-4-9-20(27)23-18/h1,4-9,13-15H,3,10-12,16H2,(H,24,28).
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide has a molecular weight of 387.44 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 167801991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).