N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

C26H20FN5O3 — CID 23537701

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCC(NC(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C26H20FN5O3/c1-15(16-3-6-23-24(9-16)35-14-34-23)31-26(33)20-5-2-17(8-21(20)27)22-12-28-25-7-4-18(13-32(22)25)19-10-29-30-11-19/h2-13,15H,14H2,1H3,(H,29,30)(H,31,33)
InChIKeyPZGJTPUSJGSSJX-UHFFFAOYSA-N
MW469.48 g/mol
LogP4.75
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 23537701) has the molecular formula C26H20FN5O3 and a molecular weight of 469.48 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID23537701
Molecular FormulaC26H20FN5O3
Molecular Weight469.48 g/mol
Exact Mass469.16
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCC(NC(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C26H20FN5O3/c1-15(16-3-6-23-24(9-16)35-14-34-23)31-26(33)20-5-2-17(8-21(20)27)22-12-28-25-7-4-18(13-32(22)25)19-10-29-30-11-19/h2-13,15H,14H2,1H3,(H,29,30)(H,31,33)
InChIKeyPZGJTPUSJGSSJX-UHFFFAOYSA-N
XLogP4.75
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)benzamide
CID 4521392
Mbm-55
CID 137636872
4-[6-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 25121551
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(1H-pyrazol-4-yl)phenyl]benzamide
CID 44189445
N-{2-Fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]-benzyl}-4-trifluoromethoxy-benzamide
CID 121249871
N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethyl-imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2-difluoro-2-phenyl-acetamide
CID 135217201
N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]benzamide
CID 135217206
N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide
CID 135217272
3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl) benzamide
CID 135316062
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(1H-pyrazol-3-yl)phenyl]benzamide
CID 136499039
4-[7-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2-phenylmethoxybenzamide
CID 137637358
2-[[7-(1,3-Benzodioxol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide
CID 137661995

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 23537701) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is CC(NC(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is PZGJTPUSJGSSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O3/c1-15(16-3-6-23-24(9-16)35-14-34-23)31-26(33)20-5-2-17(8-21(20)27)22-12-28-25-7-4-18(13-32(22)25)19-10-29-30-11-19/h2-13,15H,14H2,1H3,(H,29,30)(H,31,33).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 469.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 23537701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).