10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

C23H24N4O2S2 — CID 41083489

IUPAC10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
SMILESCc1cccn2cc(CSc3nc4sc5c(c4c(=O)n3C[C@H]3CCCO3)CCC5)nc12
InChIInChI=1S/C23H24N4O2S2/c1-14-5-3-9-26-11-15(24-20(14)26)13-30-23-25-21-19(17-7-2-8-18(17)31-21)22(28)27(23)12-16-6-4-10-29-16/h3,5,9,11,16H,2,4,6-8,10,12-13H2,1H3/t16-/m1/s1
InChIKeyJZTNKKRBSYWHRA-MRXNPFEDSA-N
MW452.61 g/mol
LogP4.37
Rot. Bonds5

About 10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one (PubChem CID 41083489) has the molecular formula C23H24N4O2S2 and a molecular weight of 452.61 g/mol. Its IUPAC name is 10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.

Molecular Properties

Compound Name10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
PubChem CID41083489
Molecular FormulaC23H24N4O2S2
Molecular Weight452.61 g/mol
Exact Mass452.13
IUPAC Name10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
SMILESCc1cccn2cc(CSc3nc4sc5c(c4c(=O)n3C[C@H]3CCCO3)CCC5)nc12
InChIInChI=1S/C23H24N4O2S2/c1-14-5-3-9-26-11-15(24-20(14)26)13-30-23-25-21-19(17-7-2-8-18(17)31-21)22(28)27(23)12-16-6-4-10-29-16/h3,5,9,11,16H,2,4,6-8,10,12-13H2,1H3/t16-/m1/s1
InChIKeyJZTNKKRBSYWHRA-MRXNPFEDSA-N
XLogP4.37
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.61
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one with MolForge

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Related Compounds

10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2S)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 41083488
10-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-11-[[(2S)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 8955732
3-[[(2R)-oxolan-2-yl]methyl]-2-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 25344240
10-(oxan-2-ylmethylsulfanyl)-11-(oxolan-2-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 42976716
7-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 112782967
propan-2-yl 2-[[12-oxo-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate
CID 7836851
methyl 5-[[12-oxo-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]furan-2-carboxylate
CID 2560959
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 24651666
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 7823877
2-[[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 7557743
2-[2-[[4-oxo-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethyl]isoindole-1,3-dione
CID 42975121
3-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 40628916

Frequently Asked Questions

What is the IUPAC name of 10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The IUPAC name of 10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one (CID 41083489) is 10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
What is the SMILES notation for 10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The canonical SMILES for 10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is Cc1cccn2cc(CSc3nc4sc5c(c4c(=O)n3C[C@H]3CCCO3)CCC5)nc12.
What is the InChIKey of 10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The InChIKey is JZTNKKRBSYWHRA-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N4O2S2/c1-14-5-3-9-26-11-15(24-20(14)26)13-30-23-25-21-19(17-7-2-8-18(17)31-21)22(28)27(23)12-16-6-4-10-29-16/h3,5,9,11,16H,2,4,6-8,10,12-13H2,1H3/t16-/m1/s1.
What are the key properties of 10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one has a molecular weight of 452.61 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is sourced from PubChem (CID 41083489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).