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

C26H27N5O3 — CID 139382559

IUPAC1-[3-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccn4cc(-c5cccc(O)c5)nc34)nn2C2CCOCC2)C1
InChIInChI=1S/C26H27N5O3/c1-17(32)29-11-7-24-22(15-29)25(28-31(24)19-8-12-34-13-9-19)21-6-3-10-30-16-23(27-26(21)30)18-4-2-5-20(33)14-18/h2-6,10,14,16,19,33H,7-9,11-13,15H2,1H3
InChIKeyHGDGZZGHJNAZFY-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.83
Rot. Bonds3

About 1-[3-[2-(3-hydroxyphenyl)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-hydroxyphenyl)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 139382559) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 1-[3-[2-(3-hydroxyphenyl)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-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID139382559
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name1-[3-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccn4cc(-c5cccc(O)c5)nc34)nn2C2CCOCC2)C1
InChIInChI=1S/C26H27N5O3/c1-17(32)29-11-7-24-22(15-29)25(28-31(24)19-8-12-34-13-9-19)21-6-3-10-30-16-23(27-26(21)30)18-4-2-5-20(33)14-18/h2-6,10,14,16,19,33H,7-9,11-13,15H2,1H3
InChIKeyHGDGZZGHJNAZFY-UHFFFAOYSA-N
XLogP3.83
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[2-(3-hydroxyphenyl)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-hydroxyphenyl)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-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 139382559) is 1-[3-[2-(3-hydroxyphenyl)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-hydroxyphenyl)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-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccn4cc(-c5cccc(O)c5)nc34)nn2C2CCOCC2)C1.
What is the InChIKey of 1-[3-[2-(3-hydroxyphenyl)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 HGDGZZGHJNAZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-17(32)29-11-7-24-22(15-29)25(28-31(24)19-8-12-34-13-9-19)21-6-3-10-30-16-23(27-26(21)30)18-4-2-5-20(33)14-18/h2-6,10,14,16,19,33H,7-9,11-13,15H2,1H3.
What are the key properties of 1-[3-[2-(3-hydroxyphenyl)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-hydroxyphenyl)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 457.53 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-hydroxyphenyl)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 139382559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).