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

C40H22N6S2 — CID 118322675

IUPAC3-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
SMILESc1ccc(-c2nc(-c3sc4cccc5c6c(-c7nc(-c8ccccn8)n8ccccc78)sc7cccc(c3c45)c76)c3ccccn23)nc1
InChIInChI=1S/C40H22N6S2/c1-5-19-41-25(13-1)39-43-35(27-15-3-7-21-45(27)39)37-33-23-11-9-18-30-32(23)34(24-12-10-17-29(47-37)31(24)33)38(48-30)36-28-16-4-8-22-46(28)40(44-36)26-14-2-6-20-42-26/h1-22H
InChIKeyJULJVCKPCDJXNL-UHFFFAOYSA-N
MW650.79 g/mol
LogP10.61
Rot. Bonds4

About 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

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 (PubChem CID 118322675) has the molecular formula C40H22N6S2 and a molecular weight of 650.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID118322675
Molecular FormulaC40H22N6S2
Molecular Weight650.79 g/mol
Exact Mass650.13
IUPAC Name3-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
SMILESc1ccc(-c2nc(-c3sc4cccc5c6c(-c7nc(-c8ccccn8)n8ccccc78)sc7cccc(c3c45)c76)c3ccccn23)nc1
InChIInChI=1S/C40H22N6S2/c1-5-19-41-25(13-1)39-43-35(27-15-3-7-21-45(27)39)37-33-23-11-9-18-30-32(23)34(24-12-10-17-29(47-37)31(24)33)38(48-30)36-28-16-4-8-22-46(28)40(44-36)26-14-2-6-20-42-26/h1-22H
InChIKeyJULJVCKPCDJXNL-UHFFFAOYSA-N
XLogP10.61
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 102486670
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
2-(3-methyl-1-benzothiophen-2-yl)pyridine
CID 58084654
phenyl-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)methanone
CID 163207383
3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine
CID 132506865
2-[3-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol
CID 155099199
1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine
CID 118322667
14-thia-2-azahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(22),3,5,7,9,11,13(21),15,17,19-decaene
CID 58898743

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3sc4cccc5c6c(-c7nc(-c8ccccn8)n8ccccc78)sc7cccc(c3c45)c76)c3ccccn23)nc1.
What is the InChIKey of 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?
The InChIKey is JULJVCKPCDJXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N6S2/c1-5-19-41-25(13-1)39-43-35(27-15-3-7-21-45(27)39)37-33-23-11-9-18-30-32(23)34(24-12-10-17-29(47-37)31(24)33)38(48-30)36-28-16-4-8-22-46(28)40(44-36)26-14-2-6-20-42-26/h1-22H.
What are the key properties of 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?
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 has a molecular weight of 650.79 g/mol, XLogP of 10.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118322675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).