1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole

C24H27N5O4S — CID 58540744

IUPAC1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole
SMILESCOCn1nc(Cc2cnccn2)c2cc(S(=O)(=O)C(C)C)cc(OCCc3ccccn3)c21
InChIInChI=1S/C24H27N5O4S/c1-17(2)34(30,31)20-13-21-22(12-19-15-25-9-10-27-19)28-29(16-32-3)24(21)23(14-20)33-11-7-18-6-4-5-8-26-18/h4-6,8-10,13-15,17H,7,11-12,16H2,1-3H3
InChIKeyRCHWPXMRMAAXDL-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.22
Rot. Bonds10

About 1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole

1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole (PubChem CID 58540744) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole.

Molecular Properties

Compound Name1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole
PubChem CID58540744
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole
SMILESCOCn1nc(Cc2cnccn2)c2cc(S(=O)(=O)C(C)C)cc(OCCc3ccccn3)c21
InChIInChI=1S/C24H27N5O4S/c1-17(2)34(30,31)20-13-21-22(12-19-15-25-9-10-27-19)28-29(16-32-3)24(21)23(14-20)33-11-7-18-6-4-5-8-26-18/h4-6,8-10,13-15,17H,7,11-12,16H2,1-3H3
InChIKeyRCHWPXMRMAAXDL-UHFFFAOYSA-N
XLogP3.22
TPSA109.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole?
The IUPAC name of 1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole (CID 58540744) is 1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole.
What is the SMILES notation for 1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole?
The canonical SMILES for 1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole is COCn1nc(Cc2cnccn2)c2cc(S(=O)(=O)C(C)C)cc(OCCc3ccccn3)c21.
What is the InChIKey of 1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole?
The InChIKey is RCHWPXMRMAAXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-17(2)34(30,31)20-13-21-22(12-19-15-25-9-10-27-19)28-29(16-32-3)24(21)23(14-20)33-11-7-18-6-4-5-8-26-18/h4-6,8-10,13-15,17H,7,11-12,16H2,1-3H3.
What are the key properties of 1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole?
1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole has a molecular weight of 481.58 g/mol, XLogP of 3.22, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-5-propan-2-ylsulfonyl-3-(pyrazin-2-ylmethyl)-7-(2-pyridin-2-ylethoxy)indazole is sourced from PubChem (CID 58540744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).