3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine

C23H14F2N4O2 — CID 22032299

IUPAC3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
SMILESFc1cccc(F)c1-c1[nH]ncc1-c1ccc2ncc(-c3ccc4c(c3)OCO4)n2c1
InChIInChI=1S/C23H14F2N4O2/c24-16-2-1-3-17(25)22(16)23-15(9-27-28-23)14-5-7-21-26-10-18(29(21)11-14)13-4-6-19-20(8-13)31-12-30-19/h1-11H,12H2,(H,27,28)
InChIKeyQKXHOPKYXNXEDS-UHFFFAOYSA-N
MW416.39 g/mol
LogP5.07
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine

3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine (PubChem CID 22032299) has the molecular formula C23H14F2N4O2 and a molecular weight of 416.39 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
PubChem CID22032299
Molecular FormulaC23H14F2N4O2
Molecular Weight416.39 g/mol
Exact Mass416.11
IUPAC Name3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
SMILESFc1cccc(F)c1-c1[nH]ncc1-c1ccc2ncc(-c3ccc4c(c3)OCO4)n2c1
InChIInChI=1S/C23H14F2N4O2/c24-16-2-1-3-17(25)22(16)23-15(9-27-28-23)14-5-7-21-26-10-18(29(21)11-14)13-4-6-19-20(8-13)31-12-30-19/h1-11H,12H2,(H,27,28)
InChIKeyQKXHOPKYXNXEDS-UHFFFAOYSA-N
XLogP5.07
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.39
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Unii-XX8E5WP7FS
CID 118009787
Benzo[1,3]dioxol-5-ylmethyl-(2-phenyl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 857997
Benzo[1,3]dioxol-5-ylmethyl-[2-(4-methoxy-phenyl)-imidazo[1,2-a]pyridin-3-yl]-amine
CID 3205757
2-(1,3-Benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine
CID 10542018
7-(3,4-Dimethoxyphenyl)-N-1H-indazol-6-ylimidazo[1,2-c]pyrimidin-5-amine
CID 9952136
3-(benzo[d][1,3]dioxol-5-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 10946675
3-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 24866033
3-(benzo[d][1,3]dioxol-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905277
N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 24994207
1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 46242007
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857649
3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662345

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine (CID 22032299) is 3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine is Fc1cccc(F)c1-c1[nH]ncc1-c1ccc2ncc(-c3ccc4c(c3)OCO4)n2c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is QKXHOPKYXNXEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N4O2/c24-16-2-1-3-17(25)22(16)23-15(9-27-28-23)14-5-7-21-26-10-18(29(21)11-14)13-4-6-19-20(8-13)31-12-30-19/h1-11H,12H2,(H,27,28).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 416.39 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 22032299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).