2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone

C24H24ClN5O4S — CID 160923400

IUPAC2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
SMILESCc1c(C(=O)Cc2cnc3c(c2)C2(C)N=C(N)C4(CC4)S(=O)(=O)C2CCO3)nc2ccc(Cl)cn12
InChIInChI=1S/C24H24ClN5O4S/c1-13-20(28-19-4-3-15(25)12-30(13)19)17(31)10-14-9-16-21(27-11-14)34-8-5-18-23(16,2)29-22(26)24(6-7-24)35(18,32)33/h3-4,9,11-12,18H,5-8,10H2,1-2H3,(H2,26,29)
InChIKeyKPBMLZDTJRMXIN-UHFFFAOYSA-N
MW514.01 g/mol
LogP2.80
Rot. Bonds3

About 2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone

2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone (PubChem CID 160923400) has the molecular formula C24H24ClN5O4S and a molecular weight of 514.01 g/mol. Its IUPAC name is 2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
PubChem CID160923400
Molecular FormulaC24H24ClN5O4S
Molecular Weight514.01 g/mol
Exact Mass513.12
IUPAC Name2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
SMILESCc1c(C(=O)Cc2cnc3c(c2)C2(C)N=C(N)C4(CC4)S(=O)(=O)C2CCO3)nc2ccc(Cl)cn12
InChIInChI=1S/C24H24ClN5O4S/c1-13-20(28-19-4-3-15(25)12-30(13)19)17(31)10-14-9-16-21(27-11-14)34-8-5-18-23(16,2)29-22(26)24(6-7-24)35(18,32)33/h3-4,9,11-12,18H,5-8,10H2,1-2H3,(H2,26,29)
InChIKeyKPBMLZDTJRMXIN-UHFFFAOYSA-N
XLogP2.80
TPSA129.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.01
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-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-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
The IUPAC name of 2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone (CID 160923400) is 2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone.
What is the SMILES notation for 2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
The canonical SMILES for 2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-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)C4(CC4)S(=O)(=O)C2CCO3)nc2ccc(Cl)cn12.
What is the InChIKey of 2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
The InChIKey is KPBMLZDTJRMXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O4S/c1-13-20(28-19-4-3-15(25)12-30(13)19)17(31)10-14-9-16-21(27-11-14)34-8-5-18-23(16,2)29-22(26)24(6-7-24)35(18,32)33/h3-4,9,11-12,18H,5-8,10H2,1-2H3,(H2,26,29).
What are the key properties of 2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
2-(4-amino-2-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone has a molecular weight of 514.01 g/mol, XLogP of 2.80, 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-methyl-6,6-dioxospiro[10-oxa-6λ6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone is sourced from PubChem (CID 160923400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).