11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene

C34H20N4S2 — CID 21357003

IUPAC11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
SMILESc1ccc(-n2c(-c3ccc(-n4c5c6ccccc6sc5c5sc6ccccc6c54)cc3)nc3cccnc32)cc1
InChIInChI=1S/C34H20N4S2/c1-2-9-22(10-3-1)38-33(36-26-13-8-20-35-34(26)38)21-16-18-23(19-17-21)37-29-24-11-4-6-14-27(24)39-31(29)32-30(37)25-12-5-7-15-28(25)40-32/h1-20H
InChIKeyLCCHEWJBPNFNKA-UHFFFAOYSA-N
MW548.70 g/mol
LogP9.61
Rot. Bonds3

About 11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene

11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene (PubChem CID 21357003) has the molecular formula C34H20N4S2 and a molecular weight of 548.70 g/mol. Its IUPAC name is 11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene.

Molecular Properties

Compound Name11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
PubChem CID21357003
Molecular FormulaC34H20N4S2
Molecular Weight548.70 g/mol
Exact Mass548.11
IUPAC Name11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
SMILESc1ccc(-n2c(-c3ccc(-n4c5c6ccccc6sc5c5sc6ccccc6c54)cc3)nc3cccnc32)cc1
InChIInChI=1S/C34H20N4S2/c1-2-9-22(10-3-1)38-33(36-26-13-8-20-35-34(26)38)21-16-18-23(19-17-21)37-29-24-11-4-6-14-27(24)39-31(29)32-30(37)25-12-5-7-15-28(25)40-32/h1-20H
InChIKeyLCCHEWJBPNFNKA-UHFFFAOYSA-N
XLogP9.61
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.70
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene with MolForge

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Related Compounds

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8-(3-Cyclohexylbenzimidazol-5-yl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
CID 155812299
6-(1-Benzothiophen-2-yl)-3-thiophen-2-ylimidazo[1,2-a]pyrazine
CID 117770166
2-(5-Imidazo[1,2-a]pyridin-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[1,2-a]pyridine
CID 139236158
3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-19-phenyl-11-thia-3,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 68232729
16-Thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 132915931
3-[3-(Benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 86575029
1-(4-(4-(5-fluorothiophen-2-yl)-1-(6-methylpyridin-3-yl)-1H-imidazol-2-yl)phenyl)-1H-pyrrolo[2,3-b]pyridine
CID 25032215
CID 59358661
CID 59358661
2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine
CID 121349963
2-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine
CID 121350025

Frequently Asked Questions

What is the IUPAC name of 11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
The IUPAC name of 11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene (CID 21357003) is 11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene.
What is the SMILES notation for 11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
The canonical SMILES for 11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene is c1ccc(-n2c(-c3ccc(-n4c5c6ccccc6sc5c5sc6ccccc6c54)cc3)nc3cccnc32)cc1.
What is the InChIKey of 11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
The InChIKey is LCCHEWJBPNFNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4S2/c1-2-9-22(10-3-1)38-33(36-26-13-8-20-35-34(26)38)21-16-18-23(19-17-21)37-29-24-11-4-6-14-27(24)39-31(29)32-30(37)25-12-5-7-15-28(25)40-32/h1-20H.
What are the key properties of 11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene has a molecular weight of 548.70 g/mol, XLogP of 9.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene is sourced from PubChem (CID 21357003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).