2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone

C24H26ClN5O4S — CID 160923402

IUPAC2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
SMILESCc1c(C(=O)Cc2cnc3c(c2)C2(C)N=C(N)C(C)(C)S(=O)(=O)C2CCO3)nc2ccc(Cl)cn12
InChIInChI=1S/C24H26ClN5O4S/c1-13-20(28-19-6-5-15(25)12-30(13)19)17(31)10-14-9-16-21(27-11-14)34-8-7-18-24(16,4)29-22(26)23(2,3)35(18,32)33/h5-6,9,11-12,18H,7-8,10H2,1-4H3,(H2,26,29)
InChIKeyYWROMYRLVJFYGS-UHFFFAOYSA-N
MW516.02 g/mol
LogP3.05
Rot. Bonds3

About 2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone

2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone (PubChem CID 160923402) has the molecular formula C24H26ClN5O4S and a molecular weight of 516.02 g/mol. Its IUPAC name is 2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
PubChem CID160923402
Molecular FormulaC24H26ClN5O4S
Molecular Weight516.02 g/mol
Exact Mass515.14
IUPAC Name2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
SMILESCc1c(C(=O)Cc2cnc3c(c2)C2(C)N=C(N)C(C)(C)S(=O)(=O)C2CCO3)nc2ccc(Cl)cn12
InChIInChI=1S/C24H26ClN5O4S/c1-13-20(28-19-6-5-15(25)12-30(13)19)17(31)10-14-9-16-21(27-11-14)34-8-7-18-24(16,4)29-22(26)23(2,3)35(18,32)33/h5-6,9,11-12,18H,7-8,10H2,1-4H3,(H2,26,29)
InChIKeyYWROMYRLVJFYGS-UHFFFAOYSA-N
XLogP3.05
TPSA129.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.02
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
The IUPAC name of 2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone (CID 160923402) is 2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone.
What is the SMILES notation for 2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
The canonical SMILES for 2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone is Cc1c(C(=O)Cc2cnc3c(c2)C2(C)N=C(N)C(C)(C)S(=O)(=O)C2CCO3)nc2ccc(Cl)cn12.
What is the InChIKey of 2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
The InChIKey is YWROMYRLVJFYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O4S/c1-13-20(28-19-6-5-15(25)12-30(13)19)17(31)10-14-9-16-21(27-11-14)34-8-7-18-24(16,4)29-22(26)23(2,3)35(18,32)33/h5-6,9,11-12,18H,7-8,10H2,1-4H3,(H2,26,29).
What are the key properties of 2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone has a molecular weight of 516.02 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone is sourced from PubChem (CID 160923402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).