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

C24H16FN5O3 — CID 23537772

IUPACN-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F
InChIInChI=1S/C24H16FN5O3/c25-19-7-14(20-11-26-23-6-2-15(12-30(20)23)16-9-27-28-10-16)1-4-18(19)24(31)29-17-3-5-21-22(8-17)33-13-32-21/h1-12H,13H2,(H,27,28)(H,29,31)
InChIKeyCFEMLFTTYNUPMJ-UHFFFAOYSA-N
MW441.42 g/mol
LogP4.51
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 23537772) has the molecular formula C24H16FN5O3 and a molecular weight of 441.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID23537772
Molecular FormulaC24H16FN5O3
Molecular Weight441.42 g/mol
Exact Mass441.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F
InChIInChI=1S/C24H16FN5O3/c25-19-7-14(20-11-26-23-6-2-15(12-30(20)23)16-9-27-28-10-16)1-4-18(19)24(31)29-17-3-5-21-22(8-17)33-13-32-21/h1-12H,13H2,(H,27,28)(H,29,31)
InChIKeyCFEMLFTTYNUPMJ-UHFFFAOYSA-N
XLogP4.51
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.42
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[8-(3,4-Dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzamide
CID 44188018
4-[8-(3,4-Dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-2-fluorobenzamide
CID 44188199
5-[8-(3,4-Dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzamide
CID 44188200
4-[8-(3,4-Dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-3-methylbenzamide
CID 44188204
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(1H-pyrazol-4-yl)phenyl]benzamide
CID 44189445
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(1H-imidazol-2-yl)phenyl]benzamide
CID 44189621
N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-4-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 46879459
5-[8-(3,4-Dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-2-fluorobenzamide
CID 57856403
3-[8-(3,4-Dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4-methylbenzamide
CID 57856413
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 57856426
N-(3,4-dimethoxyphenyl)-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 59473380
4-[8-(3,4-Dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 69002997

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 23537772) is N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is CFEMLFTTYNUPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O3/c25-19-7-14(20-11-26-23-6-2-15(12-30(20)23)16-9-27-28-10-16)1-4-18(19)24(31)29-17-3-5-21-22(8-17)33-13-32-21/h1-12H,13H2,(H,27,28)(H,29,31).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 441.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 23537772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).