(6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone

C31H29ClN4O4 — CID 133071788

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone
SMILESCc1noc(C)c1-c1ccc2c(c1)Cc1cccc(c1)CN(C(=O)c1cn3cc(Cl)ccc3n1)CCOCCO2
InChIInChI=1S/C31H29ClN4O4/c1-20-30(21(2)40-34-20)24-6-8-28-25(16-24)15-22-4-3-5-23(14-22)17-35(10-11-38-12-13-39-28)31(37)27-19-36-18-26(32)7-9-29(36)33-27/h3-9,14,16,18-19H,10-13,15,17H2,1-2H3
InChIKeyFXRYYIKMLTXERA-UHFFFAOYSA-N
MW557.05 g/mol
LogP5.90
Rot. Bonds2

About (6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone

(6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone (PubChem CID 133071788) has the molecular formula C31H29ClN4O4 and a molecular weight of 557.05 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone
PubChem CID133071788
Molecular FormulaC31H29ClN4O4
Molecular Weight557.05 g/mol
Exact Mass556.19
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone
SMILESCc1noc(C)c1-c1ccc2c(c1)Cc1cccc(c1)CN(C(=O)c1cn3cc(Cl)ccc3n1)CCOCCO2
InChIInChI=1S/C31H29ClN4O4/c1-20-30(21(2)40-34-20)24-6-8-28-25(16-24)15-22-4-3-5-23(14-22)17-35(10-11-38-12-13-39-28)31(37)27-19-36-18-26(32)7-9-29(36)33-27/h3-9,14,16,18-19H,10-13,15,17H2,1-2H3
InChIKeyFXRYYIKMLTXERA-UHFFFAOYSA-N
XLogP5.90
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.05
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone (CID 133071788) is (6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone is Cc1noc(C)c1-c1ccc2c(c1)Cc1cccc(c1)CN(C(=O)c1cn3cc(Cl)ccc3n1)CCOCCO2.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone?
The InChIKey is FXRYYIKMLTXERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClN4O4/c1-20-30(21(2)40-34-20)24-6-8-28-25(16-24)15-22-4-3-5-23(14-22)17-35(10-11-38-12-13-39-28)31(37)27-19-36-18-26(32)7-9-29(36)33-27/h3-9,14,16,18-19H,10-13,15,17H2,1-2H3.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone?
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone has a molecular weight of 557.05 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]methanone is sourced from PubChem (CID 133071788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).