12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene

C19H17N5OS — CID 46273852

IUPAC12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCCc1nnc(SCc2cn3ccccc3n2)c2cc3oc(C)cc3n12
InChIInChI=1S/C19H17N5OS/c1-3-17-21-22-19(15-9-16-14(24(15)17)8-12(2)25-16)26-11-13-10-23-7-5-4-6-18(23)20-13/h4-10H,3,11H2,1-2H3
InChIKeyVLLZECSSVLRVDV-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.29
Rot. Bonds4

About 12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene

12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 46273852) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID46273852
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCCc1nnc(SCc2cn3ccccc3n2)c2cc3oc(C)cc3n12
InChIInChI=1S/C19H17N5OS/c1-3-17-21-22-19(15-9-16-14(24(15)17)8-12(2)25-16)26-11-13-10-23-7-5-4-6-18(23)20-13/h4-10H,3,11H2,1-2H3
InChIKeyVLLZECSSVLRVDV-UHFFFAOYSA-N
XLogP4.29
TPSA60.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene with MolForge

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Related Compounds

9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-12-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 22552546
2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
2-[(12-ethyl-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-9-yl)sulfanyl]-N-phenyl-N-prop-2-enylacetamide
CID 6623949
2-[(12-ethyl-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-9-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 22552342
[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315098
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 4175552
N-(4-bromo-2-fluorophenyl)-2-[(12-ethyl-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-9-yl)sulfanyl]acetamide
CID 22552699
2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 21165389
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17307793
2-[[5-(5-bromofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19724695
2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17301322
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19729814

Frequently Asked Questions

What is the IUPAC name of 12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 46273852) is 12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene.
What is the SMILES notation for 12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene is CCc1nnc(SCc2cn3ccccc3n2)c2cc3oc(C)cc3n12.
What is the InChIKey of 12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is VLLZECSSVLRVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-3-17-21-22-19(15-9-16-14(24(15)17)8-12(2)25-16)26-11-13-10-23-7-5-4-6-18(23)20-13/h4-10H,3,11H2,1-2H3.
What are the key properties of 12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 363.45 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-9-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 46273852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).