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

C17H13N5OS — CID 22552546

IUPAC9-(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
SMILESCc1nnc(SCc2cn3ccccc3n2)c2cc3occc3n12
InChIInChI=1S/C17H13N5OS/c1-11-19-20-17(14-8-15-13(22(11)14)5-7-23-15)24-10-12-9-21-6-3-2-4-16(21)18-12/h2-9H,10H2,1H3
InChIKeyYHKOYMSEHAUQRK-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.72
Rot. Bonds3

About 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

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 (PubChem CID 22552546) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID22552546
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name9-(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
SMILESCc1nnc(SCc2cn3ccccc3n2)c2cc3occc3n12
InChIInChI=1S/C17H13N5OS/c1-11-19-20-17(14-8-15-13(22(11)14)5-7-23-15)24-10-12-9-21-6-3-2-4-16(21)18-12/h2-9H,10H2,1H3
InChIKeyYHKOYMSEHAUQRK-UHFFFAOYSA-N
XLogP3.72
TPSA60.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

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
12-methyl-9-prop-2-enylsulfanyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 22552545
2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19726048
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 4175552
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17307793
methyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxylate
CID 20883386
9-[(2-chlorophenyl)methylsulfanyl]-12-ethyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 22552650
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19729814
2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19725786
[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315098
2-[[5-(5-bromofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19724695

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nnc(SCc2cn3ccccc3n2)c2cc3occc3n12.
What is the InChIKey of 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?
The InChIKey is YHKOYMSEHAUQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-11-19-20-17(14-8-15-13(22(11)14)5-7-23-15)24-10-12-9-21-6-3-2-4-16(21)18-12/h2-9H,10H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 335.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22552546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).