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'-cyclobutane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone

C25H26ClN5O4S — CID 160923403

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'-cyclobutane]-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(CCC4)S(=O)(=O)C2CCO3)nc2ccc(Cl)cn12
InChIInChI=1S/C25H26ClN5O4S/c1-14-21(29-20-5-4-16(26)13-31(14)20)18(32)11-15-10-17-22(28-12-15)35-9-6-19-24(17,2)30-23(27)25(7-3-8-25)36(19,33)34/h4-5,10,12-13,19H,3,6-9,11H2,1-2H3,(H2,27,30)
InChIKeyKLNOJNGAMJCXPA-UHFFFAOYSA-N
MW528.03 g/mol
LogP3.19
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'-cyclobutane]-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'-cyclobutane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone (PubChem CID 160923403) has the molecular formula C25H26ClN5O4S and a molecular weight of 528.03 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'-cyclobutane]-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'-cyclobutane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
PubChem CID160923403
Molecular FormulaC25H26ClN5O4S
Molecular Weight528.03 g/mol
Exact Mass527.14
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'-cyclobutane]-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(CCC4)S(=O)(=O)C2CCO3)nc2ccc(Cl)cn12
InChIInChI=1S/C25H26ClN5O4S/c1-14-21(29-20-5-4-16(26)13-31(14)20)18(32)11-15-10-17-22(28-12-15)35-9-6-19-24(17,2)30-23(27)25(7-3-8-25)36(19,33)34/h4-5,10,12-13,19H,3,6-9,11H2,1-2H3,(H2,27,30)
InChIKeyKLNOJNGAMJCXPA-UHFFFAOYSA-N
XLogP3.19
TPSA129.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.03
LogP ≤ 53.19
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'-cyclobutane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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'-cyclobutane]-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'-cyclobutane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone (CID 160923403) 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'-cyclobutane]-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'-cyclobutane]-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'-cyclobutane]-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(CCC4)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'-cyclobutane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
The InChIKey is KLNOJNGAMJCXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O4S/c1-14-21(29-20-5-4-16(26)13-31(14)20)18(32)11-15-10-17-22(28-12-15)35-9-6-19-24(17,2)30-23(27)25(7-3-8-25)36(19,33)34/h4-5,10,12-13,19H,3,6-9,11H2,1-2H3,(H2,27,30).
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'-cyclobutane]-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'-cyclobutane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone has a molecular weight of 528.03 g/mol, XLogP of 3.19, 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'-cyclobutane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone is sourced from PubChem (CID 160923403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).