1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine

C42H27N9 — CID 118322669

IUPAC1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine
SMILESc1ccc(-c2nc(-c3cc(-c4nc(-c5ccccn5)n5ccccc45)cc(-c4nc(-c5ccccn5)n5ccccc45)c3)c3ccccn23)nc1
InChIInChI=1S/C42H27N9/c1-7-19-43-31(13-1)40-46-37(34-16-4-10-22-49(34)40)28-25-29(38-35-17-5-11-23-50(35)41(47-38)32-14-2-8-20-44-32)27-30(26-28)39-36-18-6-12-24-51(36)42(48-39)33-15-3-9-21-45-33/h1-27H
InChIKeyIXQDTAWHDHOZAS-UHFFFAOYSA-N
MW657.74 g/mol
LogP8.82
Rot. Bonds6

About 1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine

1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine (PubChem CID 118322669) has the molecular formula C42H27N9 and a molecular weight of 657.74 g/mol. Its IUPAC name is 1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine
PubChem CID118322669
Molecular FormulaC42H27N9
Molecular Weight657.74 g/mol
Exact Mass657.24
IUPAC Name1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine
SMILESc1ccc(-c2nc(-c3cc(-c4nc(-c5ccccn5)n5ccccc45)cc(-c4nc(-c5ccccn5)n5ccccc45)c3)c3ccccn23)nc1
InChIInChI=1S/C42H27N9/c1-7-19-43-31(13-1)40-46-37(34-16-4-10-22-49(34)40)28-25-29(38-35-17-5-11-23-50(35)41(47-38)32-14-2-8-20-44-32)27-30(26-28)39-36-18-6-12-24-51(36)42(48-39)33-15-3-9-21-45-33/h1-27H
InChIKeyIXQDTAWHDHOZAS-UHFFFAOYSA-N
XLogP8.82
TPSA90.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.74
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine
CID 118322664
3-(3-methylphenyl)-1-pyridin-2-ylimidazo[1,5-a]pyridine
CID 11737712
3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine
CID 132506865
3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)selanylmethylselanyl]imidazo[1,5-a]pyridine
CID 102300548
3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylimidazo[1,5-a]pyridine
CID 139173944
3-pyridin-2-yl-1-[11-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-4,12-dithiapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,7,9(18),10,13,15-octaen-3-yl]imidazo[1,5-a]pyridine
CID 118322675
3-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 102486670
1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine
CID 132965985
3-(3,5-dinaphthalen-2-ylphenyl)-1-phenylimidazo[1,5-a]pyridine
CID 129257002
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
4-(3,5-dipyridin-2-ylphenyl)-2,6-bis(4-pyridin-2-ylphenyl)pyridine
CID 118582537
phenyl-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)methanone
CID 163207383

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine?
The IUPAC name of 1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine (CID 118322669) is 1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine is c1ccc(-c2nc(-c3cc(-c4nc(-c5ccccn5)n5ccccc45)cc(-c4nc(-c5ccccn5)n5ccccc45)c3)c3ccccn23)nc1.
What is the InChIKey of 1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine?
The InChIKey is IXQDTAWHDHOZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N9/c1-7-19-43-31(13-1)40-46-37(34-16-4-10-22-49(34)40)28-25-29(38-35-17-5-11-23-50(35)41(47-38)32-14-2-8-20-44-32)27-30(26-28)39-36-18-6-12-24-51(36)42(48-39)33-15-3-9-21-45-33/h1-27H.
What are the key properties of 1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine?
1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine has a molecular weight of 657.74 g/mol, XLogP of 8.82, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine is sourced from PubChem (CID 118322669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).