[3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol

C21H19N7O2S — CID 166752056

IUPAC[3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol
SMILESCCc1c(C(O)(c2ccccc2)c2nccs2)nc2cc(OC)c(-c3nn[nH]n3)cn12
InChIInChI=1S/C21H19N7O2S/c1-3-15-18(21(29,20-22-9-10-31-20)13-7-5-4-6-8-13)23-17-11-16(30-2)14(12-28(15)17)19-24-26-27-25-19/h4-12,29H,3H2,1-2H3,(H,24,25,26,27)
InChIKeyGBUPRDKDJMXINY-UHFFFAOYSA-N
MW433.50 g/mol
LogP2.83
Rot. Bonds6

About [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol

[3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol (PubChem CID 166752056) has the molecular formula C21H19N7O2S and a molecular weight of 433.50 g/mol. Its IUPAC name is [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name[3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol
PubChem CID166752056
Molecular FormulaC21H19N7O2S
Molecular Weight433.50 g/mol
Exact Mass433.13
IUPAC Name[3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol
SMILESCCc1c(C(O)(c2ccccc2)c2nccs2)nc2cc(OC)c(-c3nn[nH]n3)cn12
InChIInChI=1S/C21H19N7O2S/c1-3-15-18(21(29,20-22-9-10-31-20)13-7-5-4-6-8-13)23-17-11-16(30-2)14(12-28(15)17)19-24-26-27-25-19/h4-12,29H,3H2,1-2H3,(H,24,25,26,27)
InChIKeyGBUPRDKDJMXINY-UHFFFAOYSA-N
XLogP2.83
TPSA114.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[7-chloro-3-ethyl-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol
CID 168740456
3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide
CID 168678814
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol
CID 164620295
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
[1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
CID 156855141
5-(2,6-dimethoxyphenyl)-2H-tetrazole
CID 10726952
ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate
CID 121000290
3-[3-methoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methylbenzimidazole-4-carboxylic acid
CID 67647218
[3-ethyl-6-methoxy-5-(tetrazolidin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-diphenylmethanol
CID 171034275
(3S,4S)-4-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)hexan-3-ol
CID 125488996
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
2-ethyl-7-methoxy-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154480338

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol?
The IUPAC name of [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol (CID 166752056) is [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol is CCc1c(C(O)(c2ccccc2)c2nccs2)nc2cc(OC)c(-c3nn[nH]n3)cn12.
What is the InChIKey of [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol?
The InChIKey is GBUPRDKDJMXINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2S/c1-3-15-18(21(29,20-22-9-10-31-20)13-7-5-4-6-8-13)23-17-11-16(30-2)14(12-28(15)17)19-24-26-27-25-19/h4-12,29H,3H2,1-2H3,(H,24,25,26,27).
What are the key properties of [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol?
[3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol has a molecular weight of 433.50 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 166752056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).