9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

C37H21N3OS — CID 118634511

IUPAC9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
SMILESc1cc(-c2cn3ccccc3n2)cc(-n2c3ccccc3c3c4c5ccccc5oc4c4sc5ccccc5c4c32)c1
InChIInChI=1S/C37H21N3OS/c1-4-15-28-24(12-1)32-33-25-13-2-5-16-29(25)41-36(33)37-34(26-14-3-6-17-30(26)42-37)35(32)40(28)23-11-9-10-22(20-23)27-21-39-19-8-7-18-31(39)38-27/h1-21H
InChIKeyRCZRIXMWSVMLHQ-UHFFFAOYSA-N
MW555.66 g/mol
LogP10.37
Rot. Bonds2

About 9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (PubChem CID 118634511) has the molecular formula C37H21N3OS and a molecular weight of 555.66 g/mol. Its IUPAC name is 9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

Molecular Properties

Compound Name9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
PubChem CID118634511
Molecular FormulaC37H21N3OS
Molecular Weight555.66 g/mol
Exact Mass555.14
IUPAC Name9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
SMILESc1cc(-c2cn3ccccc3n2)cc(-n2c3ccccc3c3c4c5ccccc5oc4c4sc5ccccc5c4c32)c1
InChIInChI=1S/C37H21N3OS/c1-4-15-28-24(12-1)32-33-25-13-2-5-16-29(25)41-36(33)37-34(26-14-3-6-17-30(26)42-37)35(32)40(28)23-11-9-10-22(20-23)27-21-39-19-8-7-18-31(39)38-27/h1-21H
InChIKeyRCZRIXMWSVMLHQ-UHFFFAOYSA-N
XLogP10.37
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.66
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
The IUPAC name of 9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (CID 118634511) is 9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.
What is the SMILES notation for 9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
The canonical SMILES for 9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is c1cc(-c2cn3ccccc3n2)cc(-n2c3ccccc3c3c4c5ccccc5oc4c4sc5ccccc5c4c32)c1.
What is the InChIKey of 9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
The InChIKey is RCZRIXMWSVMLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N3OS/c1-4-15-28-24(12-1)32-33-25-13-2-5-16-29(25)41-36(33)37-34(26-14-3-6-17-30(26)42-37)35(32)40(28)23-11-9-10-22(20-23)27-21-39-19-8-7-18-31(39)38-27/h1-21H.
What are the key properties of 9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene has a molecular weight of 555.66 g/mol, XLogP of 10.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is sourced from PubChem (CID 118634511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).