N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

C21H14FN3O3 — CID 4648650

IUPACN-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc2ccccn12)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H14FN3O3/c22-15-7-4-13(5-8-15)19-20(25-10-2-1-3-18(25)23-19)24-21(26)14-6-9-16-17(11-14)28-12-27-16/h1-11H,12H2,(H,24,26)
InChIKeyYLWZZARSKVFVGL-UHFFFAOYSA-N
MW375.36 g/mol
LogP4.12
Rot. Bonds3

About N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 4648650) has the molecular formula C21H14FN3O3 and a molecular weight of 375.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID4648650
Molecular FormulaC21H14FN3O3
Molecular Weight375.36 g/mol
Exact Mass375.10
IUPAC NameN-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc2ccccn12)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H14FN3O3/c22-15-7-4-13(5-8-15)19-20(25-10-2-1-3-18(25)23-19)24-21(26)14-6-9-16-17(11-14)28-12-27-16/h1-11H,12H2,(H,24,26)
InChIKeyYLWZZARSKVFVGL-UHFFFAOYSA-N
XLogP4.12
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694194
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]naphthalene-1-carboxamide
CID 163347337
3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694666
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-(4-fluorophenyl)acetamide
CID 42693738
4-fluoro-2-iodo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 55686583
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 7214219
4-chloro-N-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3452000
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-methoxyacetamide
CID 42694150
N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
CID 42694678
3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694201
2-(4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694212
3-bromo-N-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 4519965

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide (CID 4648650) is N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn12)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is YLWZZARSKVFVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O3/c22-15-7-4-13(5-8-15)19-20(25-10-2-1-3-18(25)23-19)24-21(26)14-6-9-16-17(11-14)28-12-27-16/h1-11H,12H2,(H,24,26).
What are the key properties of N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 375.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 4648650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).