4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

C19H22N6O3S — CID 25131012

IUPAC4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCN1CCOc2cc(S(=O)(=O)n3ncc4ccc(N5CCNCC5)cc43)cnc21
InChIInChI=1S/C19H22N6O3S/c1-23-8-9-28-18-11-16(13-21-19(18)23)29(26,27)25-17-10-15(3-2-14(17)12-22-25)24-6-4-20-5-7-24/h2-3,10-13,20H,4-9H2,1H3
InChIKeyWWZBVIWKHKURMF-UHFFFAOYSA-N
MW414.49 g/mol
LogP0.91
Rot. Bonds3

About 4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 25131012) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID25131012
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC Name4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCN1CCOc2cc(S(=O)(=O)n3ncc4ccc(N5CCNCC5)cc43)cnc21
InChIInChI=1S/C19H22N6O3S/c1-23-8-9-28-18-11-16(13-21-19(18)23)29(26,27)25-17-10-15(3-2-14(17)12-22-25)24-6-4-20-5-7-24/h2-3,10-13,20H,4-9H2,1H3
InChIKeyWWZBVIWKHKURMF-UHFFFAOYSA-N
XLogP0.91
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 25131012) is 4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is CN1CCOc2cc(S(=O)(=O)n3ncc4ccc(N5CCNCC5)cc43)cnc21.
What is the InChIKey of 4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is WWZBVIWKHKURMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-23-8-9-28-18-11-16(13-21-19(18)23)29(26,27)25-17-10-15(3-2-14(17)12-22-25)24-6-4-20-5-7-24/h2-3,10-13,20H,4-9H2,1H3.
What are the key properties of 4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 414.49 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 25131012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).