1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C27H28FN5O3 — CID 139382663

IUPAC1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(-c2cn3cccc(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)c3n2)cc1F
InChIInChI=1S/C27H28FN5O3/c1-17(34)31-11-7-24-21(15-31)26(30-33(24)19-8-12-36-13-9-19)20-4-3-10-32-16-23(29-27(20)32)18-5-6-25(35-2)22(28)14-18/h3-6,10,14,16,19H,7-9,11-13,15H2,1-2H3
InChIKeyVXIACTPQVGUTIP-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.27
Rot. Bonds4

About 1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 139382663) has the molecular formula C27H28FN5O3 and a molecular weight of 489.55 g/mol. Its IUPAC name is 1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID139382663
Molecular FormulaC27H28FN5O3
Molecular Weight489.55 g/mol
Exact Mass489.22
IUPAC Name1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(-c2cn3cccc(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)c3n2)cc1F
InChIInChI=1S/C27H28FN5O3/c1-17(34)31-11-7-24-21(15-31)26(30-33(24)19-8-12-36-13-9-19)20-4-3-10-32-16-23(29-27(20)32)18-5-6-25(35-2)22(28)14-18/h3-6,10,14,16,19H,7-9,11-13,15H2,1-2H3
InChIKeyVXIACTPQVGUTIP-UHFFFAOYSA-N
XLogP4.27
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 139382663) is 1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is COc1ccc(-c2cn3cccc(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)c3n2)cc1F.
What is the InChIKey of 1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is VXIACTPQVGUTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O3/c1-17(34)31-11-7-24-21(15-31)26(30-33(24)19-8-12-36-13-9-19)20-4-3-10-32-16-23(29-27(20)32)18-5-6-25(35-2)22(28)14-18/h3-6,10,14,16,19H,7-9,11-13,15H2,1-2H3.
What are the key properties of 1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 489.55 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 139382663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).