N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

C20H16BrN5O — CID 55977975

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(C=Cc1cnn(-c2ccccc2)c1)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C20H16BrN5O/c21-16-7-8-19-24-17(14-25(19)13-16)11-22-20(27)9-6-15-10-23-26(12-15)18-4-2-1-3-5-18/h1-10,12-14H,11H2,(H,22,27)
InChIKeyADYFJAQYNGYBLX-UHFFFAOYSA-N
MW422.29 g/mol
LogP3.61
Rot. Bonds5

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 55977975) has the molecular formula C20H16BrN5O and a molecular weight of 422.29 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID55977975
Molecular FormulaC20H16BrN5O
Molecular Weight422.29 g/mol
Exact Mass421.05
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(C=Cc1cnn(-c2ccccc2)c1)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C20H16BrN5O/c21-16-7-8-19-24-17(14-25(19)13-16)11-22-20(27)9-6-15-10-23-26(12-15)18-4-2-1-3-5-18/h1-10,12-14H,11H2,(H,22,27)
InChIKeyADYFJAQYNGYBLX-UHFFFAOYSA-N
XLogP3.61
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(4-bromoanilino)-2-oxoethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55878754
(2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
CID 94195880
(E)-N-butyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 47118618
(E)-1-(4-bromophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 9026830
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 75895788
(E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enamide
CID 98913126
(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 170877893
3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 169482421
(E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 33305743
benzyl 2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]acetate
CID 26831536
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 8547505
N-(2-hydroxy-2,3-dimethylpentyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 111463582

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 55977975) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide is O=C(C=Cc1cnn(-c2ccccc2)c1)NCc1cn2cc(Br)ccc2n1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is ADYFJAQYNGYBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O/c21-16-7-8-19-24-17(14-25(19)13-16)11-22-20(27)9-6-15-10-23-26(12-15)18-4-2-1-3-5-18/h1-10,12-14H,11H2,(H,22,27).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 422.29 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 55977975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).