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

C27H29N5O3 — CID 139382558

IUPAC1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(-c2cn3c(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)cccc3n2)cc1
InChIInChI=1S/C27H29N5O3/c1-18(33)30-13-10-24-22(16-30)27(29-32(24)20-11-14-35-15-12-20)25-4-3-5-26-28-23(17-31(25)26)19-6-8-21(34-2)9-7-19/h3-9,17,20H,10-16H2,1-2H3
InChIKeyOKEHHUFYLDDVLJ-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.13
Rot. Bonds4

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

1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 139382558) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID139382558
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(-c2cn3c(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)cccc3n2)cc1
InChIInChI=1S/C27H29N5O3/c1-18(33)30-13-10-24-22(16-30)27(29-32(24)20-11-14-35-15-12-20)25-4-3-5-26-28-23(17-31(25)26)19-6-8-21(34-2)9-7-19/h3-9,17,20H,10-16H2,1-2H3
InChIKeyOKEHHUFYLDDVLJ-UHFFFAOYSA-N
XLogP4.13
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-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-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 139382558) is 1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-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-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is COc1ccc(-c2cn3c(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)cccc3n2)cc1.
What is the InChIKey of 1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is OKEHHUFYLDDVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-18(33)30-13-10-24-22(16-30)27(29-32(24)20-11-14-35-15-12-20)25-4-3-5-26-28-23(17-31(25)26)19-6-8-21(34-2)9-7-19/h3-9,17,20H,10-16H2,1-2H3.
What are the key properties of 1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 471.56 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 139382558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).