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

C23H22N6O2S — CID 156855148

IUPAC[3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-(5-methylthiophen-2-yl)-phenylmethanol
SMILESCCc1c(C(O)(c2ccccc2)c2ccc(C)s2)nc2cc(OC)c(-c3nn[nH]n3)cn12
InChIInChI=1S/C23H22N6O2S/c1-4-17-21(23(30,15-8-6-5-7-9-15)19-11-10-14(2)32-19)24-20-12-18(31-3)16(13-29(17)20)22-25-27-28-26-22/h5-13,30H,4H2,1-3H3,(H,25,26,27,28)
InChIKeyDNKIFNYNZXQYCW-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.74
Rot. Bonds6

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

[3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-(5-methylthiophen-2-yl)-phenylmethanol (PubChem CID 156855148) has the molecular formula C23H22N6O2S and a molecular weight of 446.54 g/mol. Its IUPAC name is [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-(5-methylthiophen-2-yl)-phenylmethanol.

Molecular Properties

Compound Name[3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-(5-methylthiophen-2-yl)-phenylmethanol
PubChem CID156855148
Molecular FormulaC23H22N6O2S
Molecular Weight446.54 g/mol
Exact Mass446.15
IUPAC Name[3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-(5-methylthiophen-2-yl)-phenylmethanol
SMILESCCc1c(C(O)(c2ccccc2)c2ccc(C)s2)nc2cc(OC)c(-c3nn[nH]n3)cn12
InChIInChI=1S/C23H22N6O2S/c1-4-17-21(23(30,15-8-6-5-7-9-15)19-11-10-14(2)32-19)24-20-12-18(31-3)16(13-29(17)20)22-25-27-28-26-22/h5-13,30H,4H2,1-3H3,(H,25,26,27,28)
InChIKeyDNKIFNYNZXQYCW-UHFFFAOYSA-N
XLogP3.74
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]-(5-methylthiophen-2-yl)-phenylmethanol?
The IUPAC name of [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-(5-methylthiophen-2-yl)-phenylmethanol (CID 156855148) is [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-(5-methylthiophen-2-yl)-phenylmethanol.
What is the SMILES notation for [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-(5-methylthiophen-2-yl)-phenylmethanol?
The canonical SMILES for [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-(5-methylthiophen-2-yl)-phenylmethanol is CCc1c(C(O)(c2ccccc2)c2ccc(C)s2)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]-(5-methylthiophen-2-yl)-phenylmethanol?
The InChIKey is DNKIFNYNZXQYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S/c1-4-17-21(23(30,15-8-6-5-7-9-15)19-11-10-14(2)32-19)24-20-12-18(31-3)16(13-29(17)20)22-25-27-28-26-22/h5-13,30H,4H2,1-3H3,(H,25,26,27,28).
What are the key properties of [3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-(5-methylthiophen-2-yl)-phenylmethanol?
[3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-(5-methylthiophen-2-yl)-phenylmethanol has a molecular weight of 446.54 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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]-(5-methylthiophen-2-yl)-phenylmethanol is sourced from PubChem (CID 156855148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).