2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol

C20H22N4O4S — CID 172632070

IUPAC2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol
SMILESCC(C)(C)S(=O)(=O)c1cn2c(-c3ccc4ccnn4c3)cnc2cc1OCCO
InChIInChI=1S/C20H22N4O4S/c1-20(2,3)29(26,27)18-13-23-16(11-21-19(23)10-17(18)28-9-8-25)14-4-5-15-6-7-22-24(15)12-14/h4-7,10-13,25H,8-9H2,1-3H3
InChIKeyLLVOSBGVKALUIT-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.59
Rot. Bonds5

About 2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol

2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol (PubChem CID 172632070) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol.

Molecular Properties

Compound Name2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol
PubChem CID172632070
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol
SMILESCC(C)(C)S(=O)(=O)c1cn2c(-c3ccc4ccnn4c3)cnc2cc1OCCO
InChIInChI=1S/C20H22N4O4S/c1-20(2,3)29(26,27)18-13-23-16(11-21-19(23)10-17(18)28-9-8-25)14-4-5-15-6-7-22-24(15)12-14/h4-7,10-13,25H,8-9H2,1-3H3
InChIKeyLLVOSBGVKALUIT-UHFFFAOYSA-N
XLogP2.59
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol?
The IUPAC name of 2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol (CID 172632070) is 2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol.
What is the SMILES notation for 2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol?
The canonical SMILES for 2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol is CC(C)(C)S(=O)(=O)c1cn2c(-c3ccc4ccnn4c3)cnc2cc1OCCO.
What is the InChIKey of 2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol?
The InChIKey is LLVOSBGVKALUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-20(2,3)29(26,27)18-13-23-16(11-21-19(23)10-17(18)28-9-8-25)14-4-5-15-6-7-22-24(15)12-14/h4-7,10-13,25H,8-9H2,1-3H3.
What are the key properties of 2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol?
2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol has a molecular weight of 414.49 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol is sourced from PubChem (CID 172632070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).