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

C27H27N5O3 — CID 166712708

IUPAC1-[3-[2-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOC1=C=C=C(c2cn3cccc(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)c3n2)C=C1
InChIInChI=1S/C27H27N5O3/c1-18(33)30-13-9-25-23(16-30)26(29-32(25)20-10-14-35-15-11-20)22-4-3-12-31-17-24(28-27(22)31)19-5-7-21(34-2)8-6-19/h3-5,7,12,17,20H,9-11,13-16H2,1-2H3
InChIKeyVRTLTXHROBXZPO-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.69
Rot. Bonds4

About 1-[3-[2-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)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-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)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 166712708) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 1-[3-[2-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)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-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID166712708
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name1-[3-[2-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOC1=C=C=C(c2cn3cccc(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)c3n2)C=C1
InChIInChI=1S/C27H27N5O3/c1-18(33)30-13-9-25-23(16-30)26(29-32(25)20-10-14-35-15-11-20)22-4-3-12-31-17-24(28-27(22)31)19-5-7-21(34-2)8-6-19/h3-5,7,12,17,20H,9-11,13-16H2,1-2H3
InChIKeyVRTLTXHROBXZPO-UHFFFAOYSA-N
XLogP3.69
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[2-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)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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Related Compounds

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
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
ethane;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176986022
1-[1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidin-3-yl]ethanone;ethane
CID 145409335
1-[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-2-pyridinyl]ethanone
CID 177169764
2-[[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-2-pyridinyl]oxymethyl]pyrimidine-5-carboxylic acid
CID 177123085
1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 177123026
1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 145091366
1-[3-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 139382486
1-[1-(oxan-4-yl)-3-[3-[1-(1-piperidin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 177123398
5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide
CID 177123130
1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 156759126

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)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-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 166712708) is 1-[3-[2-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)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-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)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-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is COC1=C=C=C(c2cn3cccc(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)c3n2)C=C1.
What is the InChIKey of 1-[3-[2-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)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 VRTLTXHROBXZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-18(33)30-13-9-25-23(16-30)26(29-32(25)20-10-14-35-15-11-20)22-4-3-12-31-17-24(28-27(22)31)19-5-7-21(34-2)8-6-19/h3-5,7,12,17,20H,9-11,13-16H2,1-2H3.
What are the key properties of 1-[3-[2-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)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-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)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 469.55 g/mol, XLogP of 3.69, 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-methoxycyclohexa-1,2,3,5-tetraen-1-yl)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 166712708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).